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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
Carboxylic acids and derivatives (4,434)
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1 – 15 of 3,920 results
1

Isopentyl acetate, 99%, cont. ca 10% other isomers

CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O

PubChem CID 31276
CAS 123-92-2
Molecular Weight (g/mol) 130.19
ChEBI CHEBI:31725
MDL Number MFCD00008946
SMILES CC(C)CCOC(C)=O
Synonym isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate
IUPAC Name 3-methylbutyl acetate
InChI Key MLFHJEHSLIIPHL-UHFFFAOYSA-N
Molecular Formula C7H14O2
2

Potassium sodium tartrate tetrahydrate, 99+%, for analysis

CAS: 6381-59-5 MDL Number: MFCD00150989 InChI Key: VZOPRCCTKLAGPN-UHFFFAOYSA-L Synonym: potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j PubChem CID: 2724148 IUPAC Name: potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]

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PubChem CID 2724148
CAS 6381-59-5
MDL Number MFCD00150989
SMILES C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
Synonym potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j
IUPAC Name potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate
InChI Key VZOPRCCTKLAGPN-UHFFFAOYSA-L
3

Citric acid monohydrate, 99+%, ACS reagent

CAS: 5949-29-1 Molecular Formula: C6H8O7·H2O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

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PubChem CID 22230
CAS 5949-29-1
Molecular Weight (g/mol) 210.15
ChEBI CHEBI:31404
SMILES C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Synonym citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp
IUPAC Name 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
InChI Key YASYEJJMZJALEJ-UHFFFAOYSA-N
Molecular Formula C6H8O7·H2O
4

Dioctyl sulfosuccinate, sodium salt, 96%

CAS: 577-11-7 Molecular Formula: C20H37NaO7S Molecular Weight (g/mol): 444.56 MDL Number: MFCD00012455 InChI Key: APSBXTVYXVQYAB-UHFFFAOYNA-M Synonym: docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin PubChem CID: 23673837 IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate SMILES: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O

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PubChem CID 23673837
CAS 577-11-7
Molecular Weight (g/mol) 444.56
MDL Number MFCD00012455
SMILES [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
Synonym docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin
IUPAC Name sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
InChI Key APSBXTVYXVQYAB-UHFFFAOYNA-M
Molecular Formula C20H37NaO7S
5

Propyl gallate, 98%

CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

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PubChem CID 4947
CAS 121-79-9
Molecular Weight (g/mol) 212.2
ChEBI CHEBI:10607
MDL Number MFCD00002196
SMILES CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate
IUPAC Name propyl 3,4,5-trihydroxybenzoate
InChI Key ZTHYODDOHIVTJV-UHFFFAOYSA-N
Molecular Formula C10H12O5
6

1-Octanesulfonic acid, sodium salt monohydrate, 98%

CAS: 207596-29-0 Molecular Formula: C8H19NaO4S Molecular Weight (g/mol): 234.29 MDL Number: MFCD00149551 InChI Key: MBURIAHQXJQKRE-UHFFFAOYSA-M Synonym: sodium octane-1-sulfonate hydrate,1-octanesulfonic acid sodium salt monohydrate,sodium 1-octanesulfonate monohydrate,1-octanesulfonic acid, sodium salt, monohydrate,sodium 1-octanesulfonate hydrate,1-octane sulfonic acid, na,acmc-20p1dl,ksc496c2b,sodium1-octanesulfonatemonohydrate,potassium hydrate octane-1-sulfonate PubChem CID: 23666339 IUPAC Name: sodium;octane-1-sulfonate;hydrate SMILES: O.[Na+].CCCCCCCCS([O-])(=O)=O

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PubChem CID 23666339
CAS 207596-29-0
Molecular Weight (g/mol) 234.29
MDL Number MFCD00149551
SMILES O.[Na+].CCCCCCCCS([O-])(=O)=O
Synonym sodium octane-1-sulfonate hydrate,1-octanesulfonic acid sodium salt monohydrate,sodium 1-octanesulfonate monohydrate,1-octanesulfonic acid, sodium salt, monohydrate,sodium 1-octanesulfonate hydrate,1-octane sulfonic acid, na,acmc-20p1dl,ksc496c2b,sodium1-octanesulfonatemonohydrate,potassium hydrate octane-1-sulfonate
IUPAC Name sodium;octane-1-sulfonate;hydrate
InChI Key MBURIAHQXJQKRE-UHFFFAOYSA-M
Molecular Formula C8H19NaO4S
7

Triethyl phosphate, 99%

CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC

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PubChem CID 6535
CAS 78-40-0
Molecular Weight (g/mol) 182.16
ChEBI CHEBI:45927
MDL Number MFCD00009077
SMILES CCOP(=O)(OCC)OCC
Synonym triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester
IUPAC Name triethyl phosphate
InChI Key DQWPFSLDHJDLRL-UHFFFAOYSA-N
Molecular Formula C6H15O4P
8

Urea, 99%, ACS reagent

CAS: 57-13-6 MDL Number: MFCD00008022 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N

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PubChem CID 1176
CAS 57-13-6
ChEBI CHEBI:48376
MDL Number MFCD00008022
SMILES C(=O)(N)N
Synonym carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate
IUPAC Name urea
InChI Key XSQUKJJJFZCRTK-UHFFFAOYSA-N
9

Levulinic Acid, 98+%

CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O

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PubChem CID 11579
CAS 123-76-2
Molecular Weight (g/mol) 116.12
ChEBI CHEBI:45630
MDL Number MFCD00002796
SMILES CC(=O)CCC(=O)O
Synonym levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid
IUPAC Name 4-oxopentanoic acid
InChI Key JOOXCMJARBKPKM-UHFFFAOYSA-N
Molecular Formula C5H8O3
10

Sulfanilic acid, ACS reagent

CAS: 121-57-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00007886 InChI Key: HVBSAKJJOYLTQU-UHFFFAOYSA-N Synonym: sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid PubChem CID: 8479 ChEBI: CHEBI:27500 IUPAC Name: 4-aminobenzenesulfonic acid SMILES: C1=CC(=CC=C1N)S(=O)(=O)O

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PubChem CID 8479
CAS 121-57-3
Molecular Weight (g/mol) 173.186
ChEBI CHEBI:27500
MDL Number MFCD00007886
SMILES C1=CC(=CC=C1N)S(=O)(=O)O
Synonym sulfanilic acid,sulphanilic acid,p-aminobenzenesulfonic acid,sulfanilsaeure,aniline-4-sulfonic acid,benzenesulfonic acid, 4-amino,aniline-p-sulfonic acid,aniline-p-sulphonic acid,p-aminophenylsulfonic acid,sulfanilicacid
IUPAC Name 4-aminobenzenesulfonic acid
InChI Key HVBSAKJJOYLTQU-UHFFFAOYSA-N
Molecular Formula C6H7NO3S
11

Sodium formate, 99%

CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.007 MDL Number: MFCD00013101 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]

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PubChem CID 2723810
CAS 141-53-7
Molecular Weight (g/mol) 68.007
ChEBI CHEBI:62965
MDL Number MFCD00013101
SMILES C(=O)[O-].[Na+]
Synonym sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744
IUPAC Name sodium;formate
InChI Key HLBBKKJFGFRGMU-UHFFFAOYSA-M
Molecular Formula CHNaO2
12

Diphenylborinic acid 2-aminoethyl ester, 98%

CAS: 524-95-8 Molecular Formula: C14H16BNO Molecular Weight (g/mol): 225.10 MDL Number: MFCD00014823 InChI Key: BLZVCIGGICSWIG-UHFFFAOYSA-N Synonym: 2-aminoethyl diphenylborinate,2-apb,2-aminoethoxy diphenylborane,2-aminoethoxydiphenylborane,2-aminoethoxydiphenylborate,2-aminoethoxydiphenyl borate,o-2-aminoethyl diphenylborinic acid,b-2-aminoethoxy diphenylborane,2-diphenylboryl oxy ethanamine,borinic acid, o-2-aminoethyl diphenyl PubChem CID: 1598 SMILES: NCCOB(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 1598
CAS 524-95-8
Molecular Weight (g/mol) 225.10
MDL Number MFCD00014823
SMILES NCCOB(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2-aminoethyl diphenylborinate,2-apb,2-aminoethoxy diphenylborane,2-aminoethoxydiphenylborane,2-aminoethoxydiphenylborate,2-aminoethoxydiphenyl borate,o-2-aminoethyl diphenylborinic acid,b-2-aminoethoxy diphenylborane,2-diphenylboryl oxy ethanamine,borinic acid, o-2-aminoethyl diphenyl
InChI Key BLZVCIGGICSWIG-UHFFFAOYSA-N
Molecular Formula C14H16BNO
13

trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic Acid Monohydrate, 98%

CAS: 125572-95-4 Molecular Formula: C14H20N2O8 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00149243,MFCD00066429,MFCD00003845 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-L Synonym: 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd PubChem CID: 2723844 SMILES: [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O

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PubChem CID 2723844
CAS 125572-95-4
Molecular Weight (g/mol) 344.32
MDL Number MFCD00149243,MFCD00066429,MFCD00003845
SMILES [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O
Synonym 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd
InChI Key FCKYPQBAHLOOJQ-NXEZZACHSA-L
Molecular Formula C14H20N2O8
14

Phenylboronic acid, 98+%, may contain varying amounts of anhydride

CAS: 98-80-6 Molecular Formula: C6H7BO2 Molecular Weight (g/mol): 121.93 MDL Number: MFCD00002103 InChI Key: HXITXNWTGFUOAU-UHFFFAOYSA-N Synonym: benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2 PubChem CID: 66827 ChEBI: CHEBI:44923 IUPAC Name: phenylboronic acid SMILES: OB(O)C1=CC=CC=C1

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PubChem CID 66827
CAS 98-80-6
Molecular Weight (g/mol) 121.93
ChEBI CHEBI:44923
MDL Number MFCD00002103
SMILES OB(O)C1=CC=CC=C1
Synonym benzeneboronic acid,boronic acid, phenyl,phenyl boronic acid,phenylboric acid,dihydroxyphenylborane,phenyldihydroxyborane,dihydroxy phenyl borane,phenylboronicacid,borophenylic acid,usaf bo-2
IUPAC Name phenylboronic acid
InChI Key HXITXNWTGFUOAU-UHFFFAOYSA-N
Molecular Formula C6H7BO2
15

Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.34 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

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PubChem CID 3053
CAS 67-43-6
Molecular Weight (g/mol) 393.34
ChEBI CHEBI:35739
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula C14H23N3O10