Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 1066-51-9 Molecular Formula: CH₆NO₃P Molecular Weight (g/mol): 111.04 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

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Specifications

PubChem CID	14017
CAS	1066-51-9
Molecular Weight (g/mol)	111.04
ChEBI	CHEBI:28812
MDL Number	MFCD00008105
SMILES	C(N)P(=O)(O)O
Synonym	aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl
IUPAC Name	aminomethylphosphonic acid
InChI Key	MGRVRXRGTBOSHW-UHFFFAOYSA-N
Molecular Formula	CH₆NO₃P

(2-Aminoethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 2041-14-7 Molecular Formula: C2H8NO3P Molecular Weight (g/mol): 125.06 MDL Number: MFCD00008182 InChI Key: QQVDJLLNRSOCEL-UHFFFAOYSA-N Synonym: 2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl PubChem CID: 339 ChEBI: CHEBI:15573 IUPAC Name: 2-aminoethylphosphonic acid SMILES: NCCP(O)(O)=O

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Specifications

PubChem CID	339
CAS	2041-14-7
Molecular Weight (g/mol)	125.06
ChEBI	CHEBI:15573
MDL Number	MFCD00008182
SMILES	NCCP(O)(O)=O
Synonym	2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl
IUPAC Name	2-aminoethylphosphonic acid
InChI Key	QQVDJLLNRSOCEL-UHFFFAOYSA-N
Molecular Formula	C2H8NO3P

Diethyl (hydroxymethyl)phosphonate, 97%

CAS: 3084-40-0 Molecular Formula: C₅H₁₃O₄P Molecular Weight (g/mol): 168.13 MDL Number: MFCD00014418 InChI Key: RWIGWWBLTJLKMK-UHFFFAOYSA-N Synonym: diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol PubChem CID: 76513 IUPAC Name: diethoxyphosphorylmethanol SMILES: CCOP(=O)(CO)OCC

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Specifications

PubChem CID	76513
CAS	3084-40-0
Molecular Weight (g/mol)	168.13
MDL Number	MFCD00014418
SMILES	CCOP(=O)(CO)OCC
Synonym	diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol
IUPAC Name	diethoxyphosphorylmethanol
InChI Key	RWIGWWBLTJLKMK-UHFFFAOYSA-N
Molecular Formula	C₅H₁₃O₄P

Phenylphosphonic acid, 98%

CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	15295
CAS	1571-33-1
Molecular Weight (g/mol)	158.09
MDL Number	MFCD00002136
SMILES	OP(O)(=O)C1=CC=CC=C1
Synonym	benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
IUPAC Name	phenylphosphonic acid
InChI Key	QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula	C6H7O3P

2-Chloroethylphosphonic acid, 90%, Tech.

CAS: 16672-87-0 Molecular Formula: C2H6ClO3P Molecular Weight (g/mol): 144.49 MDL Number: MFCD00002142 InChI Key: UDPGUMQDCGORJQ-UHFFFAOYSA-N Synonym: ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse PubChem CID: 27982 ChEBI: CHEBI:52741 IUPAC Name: 2-chloroethylphosphonic acid SMILES: OP(O)(=O)CCCl

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Specifications

PubChem CID	27982
CAS	16672-87-0
Molecular Weight (g/mol)	144.49
ChEBI	CHEBI:52741
MDL Number	MFCD00002142
SMILES	OP(O)(=O)CCCl
Synonym	ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse
IUPAC Name	2-chloroethylphosphonic acid
InChI Key	UDPGUMQDCGORJQ-UHFFFAOYSA-N
Molecular Formula	C2H6ClO3P

Dimethyl 2-hydroxyethylphosphonate, 95%, Thermo Scientific Chemicals

CAS: 54731-72-5 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.10 MDL Number: MFCD00043376 InChI Key: TZPPDWDHNIMTDQ-UHFFFAOYSA-N Synonym: dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol PubChem CID: 2733833 IUPAC Name: 2-dimethoxyphosphorylethanol SMILES: COP(=O)(CCO)OC

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Specifications

PubChem CID	2733833
CAS	54731-72-5
Molecular Weight (g/mol)	154.10
MDL Number	MFCD00043376
SMILES	COP(=O)(CCO)OC
Synonym	dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol
IUPAC Name	2-dimethoxyphosphorylethanol
InChI Key	TZPPDWDHNIMTDQ-UHFFFAOYSA-N
Molecular Formula	C4H11O4P

(3-Aminopropyl)phosphonic acid, 97%, Thermo Scientific Chemicals

CAS: 13138-33-5 Molecular Formula: C₃H₁₀NO₃P Molecular Weight (g/mol): 139.09 MDL Number: MFCD00008222 InChI Key: GSZQTIFGANBTNF-UHFFFAOYSA-N Synonym: 3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325 PubChem CID: 97587 IUPAC Name: 3-aminopropylphosphonic acid SMILES: C(CN)CP(=O)(O)O

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Specifications

PubChem CID	97587
CAS	13138-33-5
Molecular Weight (g/mol)	139.09
MDL Number	MFCD00008222
SMILES	C(CN)CP(=O)(O)O
Synonym	3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325
IUPAC Name	3-aminopropylphosphonic acid
InChI Key	GSZQTIFGANBTNF-UHFFFAOYSA-N
Molecular Formula	C₃H₁₀NO₃P

Diethyl (2-aminoethyl)phosphonate oxalate, 97%

CAS: 203192-98-7 Molecular Formula: C6H17NO3P Molecular Weight (g/mol): 182.18 MDL Number: MFCD00800256 InChI Key: JUAGHBASZWRMQH-UHFFFAOYSA-O Synonym: diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt PubChem CID: 2733595 IUPAC Name: 2-diethoxyphosphorylethanamine;oxalic acid SMILES: CCOP(=O)(CC[NH3+])OCC

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Specifications

PubChem CID	2733595
CAS	203192-98-7
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00800256
SMILES	CCOP(=O)(CC[NH3+])OCC
Synonym	diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt
IUPAC Name	2-diethoxyphosphorylethanamine;oxalic acid
InChI Key	JUAGHBASZWRMQH-UHFFFAOYSA-O
Molecular Formula	C6H17NO3P

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Molecular Formula: C₅H₁₁O₅P Molecular Weight (g/mol): 182.11 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

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Specifications

PubChem CID	80029
CAS	5927-18-4
Molecular Weight (g/mol)	182.11
SMILES	COC(=O)CP(=O)(OC)OC
Synonym	trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
IUPAC Name	methyl 2-dimethoxyphosphorylacetate
InChI Key	SIGOIUCRXKUEIG-UHFFFAOYSA-N
Molecular Formula	C₅H₁₁O₅P

Diethyl benzylphosphonate, 99%

CAS: 1080-32-6 Molecular Formula: C₁₁H₁₇O₃P Molecular Weight (g/mol): 228.23 InChI Key: AIPRAPZUGUTQKX-UHFFFAOYSA-N Synonym: diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester PubChem CID: 14122 IUPAC Name: diethoxyphosphorylmethylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1)OCC

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Specifications

PubChem CID	14122
CAS	1080-32-6
Molecular Weight (g/mol)	228.23
SMILES	CCOP(=O)(CC1=CC=CC=C1)OCC
Synonym	diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester
IUPAC Name	diethoxyphosphorylmethylbenzene
InChI Key	AIPRAPZUGUTQKX-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₇O₃P

Triethyl 2-phosphonobutyrate, 98%, Thermo Scientific Chemicals

CAS: 17145-91-4 Molecular Formula: C₁₀H₂₁O₅P Molecular Weight (g/mol): 252.25 MDL Number: MFCD00041347 InChI Key: GYUCVQSNZFRDRL-UHFFFAOYSA-N Synonym: triethyl 2-phosphonobutyrate,ethyl 2-diethoxyphosphoryl butanoate,ethyl 2-diethylphosphono butyrate,butanoic acid, 2-diethoxyphosphinyl-, ethyl ester,triethyl 2-phosphonobutanoate,.alpha.-diethylphosphono butanoic acid, ethyl ester,butyric acid, 2-phosphono-, triethyl ester,butyric acid, triethyl ester,triethyl 2-phosphonobu-tyrate,triethyl-2-phosphono butyrate PubChem CID: 229053 IUPAC Name: ethyl 2-diethoxyphosphorylbutanoate SMILES: CCC(C(=O)OCC)P(=O)(OCC)OCC

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Specifications

PubChem CID	229053
CAS	17145-91-4
Molecular Weight (g/mol)	252.25
MDL Number	MFCD00041347
SMILES	CCC(C(=O)OCC)P(=O)(OCC)OCC
Synonym	triethyl 2-phosphonobutyrate,ethyl 2-diethoxyphosphoryl butanoate,ethyl 2-diethylphosphono butyrate,butanoic acid, 2-diethoxyphosphinyl-, ethyl ester,triethyl 2-phosphonobutanoate,.alpha.-diethylphosphono butanoic acid, ethyl ester,butyric acid, 2-phosphono-, triethyl ester,butyric acid, triethyl ester,triethyl 2-phosphonobu-tyrate,triethyl-2-phosphono butyrate
IUPAC Name	ethyl 2-diethoxyphosphorylbutanoate
InChI Key	GYUCVQSNZFRDRL-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₁O₅P

Diethyl 2-bromoethylphosphonate, 97%

CAS: 5324-30-1 Molecular Formula: C6H14BrO3P Molecular Weight (g/mol): 245.05 MDL Number: MFCD00000239 InChI Key: PINITSMLVXAASM-UHFFFAOYSA-N Synonym: diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate PubChem CID: 79218 SMILES: CCOP(=O)(CCBr)OCC

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Specifications

PubChem CID	79218
CAS	5324-30-1
Molecular Weight (g/mol)	245.05
MDL Number	MFCD00000239
SMILES	CCOP(=O)(CCBr)OCC
Synonym	diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate
InChI Key	PINITSMLVXAASM-UHFFFAOYSA-N
Molecular Formula	C6H14BrO3P

tert-Butyl diethylphosphonoacetate, 95%

CAS: 27784-76-5 Molecular Formula: C₁₀H₂₁O₅P Molecular Weight (g/mol): 50.23 MDL Number: MFCD00075414 InChI Key: NFEGNISFSSLEGU-UHFFFAOYSA-N Synonym: tert-butyl diethylphosphonoacetate,tert-butyl 2-diethoxyphosphoryl acetate,diethyl boc-methyl phosphonate,diethoxy-phosphoryl-acetic acid tert-butyl ester,t-butyl diethylphosphonoacetate,diethyl phosphonoacetic acid tert-butyl ester,t-butyl diethyl phosphonoacetate,diethylphosphonoacetic acid tert-butyl ester,diethyl 2-tert-butoxycarbonylmethyl phosphonate,acetic acid, diethoxyphosphinyl-, 1,1-dimethylethyl ester PubChem CID: 2773685 IUPAC Name: tert-butyl 2-diethoxyphosphorylacetate SMILES: CCOP(=O)(CC(=O)OC(C)(C)C)OCC

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Specifications

PubChem CID	2773685
CAS	27784-76-5
Molecular Weight (g/mol)	50.23
MDL Number	MFCD00075414
SMILES	CCOP(=O)(CC(=O)OC(C)(C)C)OCC
Synonym	tert-butyl diethylphosphonoacetate,tert-butyl 2-diethoxyphosphoryl acetate,diethyl boc-methyl phosphonate,diethoxy-phosphoryl-acetic acid tert-butyl ester,t-butyl diethylphosphonoacetate,diethyl phosphonoacetic acid tert-butyl ester,t-butyl diethyl phosphonoacetate,diethylphosphonoacetic acid tert-butyl ester,diethyl 2-tert-butoxycarbonylmethyl phosphonate,acetic acid, diethoxyphosphinyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 2-diethoxyphosphorylacetate
InChI Key	NFEGNISFSSLEGU-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₁O₅P

Diethylphosphonoacetic acid, 98%

CAS: 3095-95-2 Molecular Formula: C₆H₁₃O₅P Molecular Weight (g/mol): 196.14 MDL Number: MFCD00192032 InChI Key: DVQMPWOLBFKUMM-UHFFFAOYSA-N Synonym: 2-diethoxyphosphoryl acetic acid,diethylphosphonoacetic acid,diethyl carboxymethylphosphonate,diethoxyphosphorylacetic acid,diethyl phosphonoacetate,diethoxyphosphoryl acetic acid,acetic acid, diethoxyphosphinyl,acmc-20al82,diethylphosphonoethanoic acid,diethylcarboxymethylphosphonate PubChem CID: 36704 IUPAC Name: 2-diethoxyphosphorylacetic acid SMILES: CCOP(=O)(CC(=O)O)OCC

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Specifications

PubChem CID	36704
CAS	3095-95-2
Molecular Weight (g/mol)	196.14
MDL Number	MFCD00192032
SMILES	CCOP(=O)(CC(=O)O)OCC
Synonym	2-diethoxyphosphoryl acetic acid,diethylphosphonoacetic acid,diethyl carboxymethylphosphonate,diethoxyphosphorylacetic acid,diethyl phosphonoacetate,diethoxyphosphoryl acetic acid,acetic acid, diethoxyphosphinyl,acmc-20al82,diethylphosphonoethanoic acid,diethylcarboxymethylphosphonate
IUPAC Name	2-diethoxyphosphorylacetic acid
InChI Key	DVQMPWOLBFKUMM-UHFFFAOYSA-N
Molecular Formula	C₆H₁₃O₅P

Diethyl allylphosphonate, 97%

CAS: 1067-87-4 Molecular Formula: C7H15O3P Molecular Weight (g/mol): 178.17 MDL Number: MFCD00015134 InChI Key: YPJHXRAHMUKXAE-UHFFFAOYSA-N Synonym: diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester PubChem CID: 573014 IUPAC Name: 3-diethoxyphosphorylprop-1-ene SMILES: CCOP(=O)(CC=C)OCC

Pricing and Availability
Specifications

PubChem CID	573014
CAS	1067-87-4
Molecular Weight (g/mol)	178.17
MDL Number	MFCD00015134
SMILES	CCOP(=O)(CC=C)OCC
Synonym	diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester
IUPAC Name	3-diethoxyphosphorylprop-1-ene
InChI Key	YPJHXRAHMUKXAE-UHFFFAOYSA-N
Molecular Formula	C7H15O3P

Organic phosphonic acids and derivatives

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