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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 (167)
Vinylogous acids (73)
Boronic acid derivatives (38)
Organic sulfonic acids and derivatives (14)
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Organic carbonic acids and derivatives (4)
Cyclopropanecarboxylic acids and derivatives (3)
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1 – 15 of 143 results
1

Methyle3-hydroxybutanoate, 97%, Thermo Scientific™

CAS: 3976-69-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00063289 InChI Key: LDLDJEAVRNAEBW-SCSAIBSYSA-N Synonym: methyl r---3-hydroxybutyrate,r-methyl 3-hydroxybutanoate,methyl 3r-3-hydroxybutanoate,methyl r-3-hydroxybutyrate,r-3-hydroxybutyric acid methyl ester,methyl r-3-hydroxybutanoate,r---3-hydroxybutyric acid methyl ester,r---methyl 3-hydroxybutyrate,r---3-hydroxy-n-butyric acid methyl ester PubChem CID: 2724279 IUPAC Name: methyl (3R)-3-hydroxybutanoate SMILES: CC(CC(=O)OC)O

PubChem CID 2724279
CAS 3976-69-0
Molecular Weight (g/mol) 118.132
MDL Number MFCD00063289
SMILES CC(CC(=O)OC)O
Synonym methyl r---3-hydroxybutyrate,r-methyl 3-hydroxybutanoate,methyl 3r-3-hydroxybutanoate,methyl r-3-hydroxybutyrate,r-3-hydroxybutyric acid methyl ester,methyl r-3-hydroxybutanoate,r---3-hydroxybutyric acid methyl ester,r---methyl 3-hydroxybutyrate,r---3-hydroxy-n-butyric acid methyl ester
IUPAC Name methyl (3R)-3-hydroxybutanoate
InChI Key LDLDJEAVRNAEBW-SCSAIBSYSA-N
Molecular Formula C5H10O3
2

5-Bromooxindole, 97%, Thermo Scientific™

CAS: 20870-78-4 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.046 InChI Key: VIMNAEVMZXIKFL-UHFFFAOYSA-N Synonym: 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one PubChem CID: 611193 IUPAC Name: 5-bromo-1,3-dihydroindol-2-one SMILES: C1C2=C(C=CC(=C2)Br)NC1=O

PubChem CID 611193
CAS 20870-78-4
Molecular Weight (g/mol) 212.046
SMILES C1C2=C(C=CC(=C2)Br)NC1=O
Synonym 5-bromooxindole,5-bromoindolin-2-one,5-bromo-2-oxindole,5-bromo-1,3-dihydro-2h-indol-2-one,5-bromo-2,3-dihydro-1h-indol-2-one,5-bromo-2-indolinone,5-bromo-1,3-dihydro-indol-2-one,2h-indol-2-one, 5-bromo-1,3-dihydro,5-bromo-2-oxindol,1,3-dihydro-5-bromoindol-2-one
IUPAC Name 5-bromo-1,3-dihydroindol-2-one
InChI Key VIMNAEVMZXIKFL-UHFFFAOYSA-N
Molecular Formula C8H6BrNO
3

Methyle3-cyanobenzoate, 95%, Thermo Scientific™

CAS: 13531-48-1 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00220156 InChI Key: XPBHWSMZTSSEJE-UHFFFAOYSA-N Synonym: methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3 PubChem CID: 83554 IUPAC Name: methyl 3-cyanobenzoate SMILES: COC(=O)C1=CC=CC(=C1)C#N

PubChem CID 83554
CAS 13531-48-1
Molecular Weight (g/mol) 161.16
MDL Number MFCD00220156
SMILES COC(=O)C1=CC=CC(=C1)C#N
Synonym methyl m-cyanobenzoate,benzoic acid, 3-cyano-, methyl ester,3-cyanobenzoic acid methyl ester,methyl-3-cyanobenzoate,methyl3-cyanobenzoate,pubchem21088,acmc-1burk,intermediates-zcf02042,ksc180c9j,3-cn-c6h4-cooch3
IUPAC Name methyl 3-cyanobenzoate
InChI Key XPBHWSMZTSSEJE-UHFFFAOYSA-N
Molecular Formula C9H7NO2
4

3-Methylbutanamide, 97%, Thermo Scientific™

CAS: 541-46-8 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00014807 InChI Key: SANOUVWGPVYVAV-UHFFFAOYSA-N Synonym: isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide PubChem CID: 10930 IUPAC Name: 3-methylbutanamide SMILES: CC(C)CC(=O)N

PubChem CID 10930
CAS 541-46-8
Molecular Weight (g/mol) 101.149
MDL Number MFCD00014807
SMILES CC(C)CC(=O)N
Synonym isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide
IUPAC Name 3-methylbutanamide
InChI Key SANOUVWGPVYVAV-UHFFFAOYSA-N
Molecular Formula C5H11NO
5

Methyl propiolate, 97%, Thermo Scientific™

CAS: 922-67-8 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.074 MDL Number: MFCD00008572 InChI Key: IMAKHNTVDGLIRY-UHFFFAOYSA-N Synonym: methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester PubChem CID: 13536 IUPAC Name: methyl prop-2-ynoate SMILES: COC(=O)C#C

PubChem CID 13536
CAS 922-67-8
Molecular Weight (g/mol) 84.074
MDL Number MFCD00008572
SMILES COC(=O)C#C
Synonym methyl propiolate,methyl propynoate,2-propynoic acid, methyl ester,propiolic acid, methyl ester,methyl acetylenecarboxylate,methyl ethynecarboxylate,propynoic acid, methyl ester,propynoic acid methyl ester,methyl propargylate,acetylenecarboxylic acid methyl ester
IUPAC Name methyl prop-2-ynoate
InChI Key IMAKHNTVDGLIRY-UHFFFAOYSA-N
Molecular Formula C4H4O2
6

1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O

PubChem CID 574321
CAS 16042-25-4
Molecular Weight (g/mol) 112.088
SMILES C1=CN=C(N1)C(=O)O
Synonym 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole
IUPAC Name 1H-imidazole-2-carboxylic acid
InChI Key KYWMCFOWDYFYLV-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
7

5-Pyrimidinylboronic acid, 97%, Thermo Scientific™

CAS: 109299-78-7 Molecular Formula: C4H5BN2O2 Molecular Weight (g/mol): 123.91 MDL Number: MFCD03002366 InChI Key: HZFPPBMKGYINDF-UHFFFAOYSA-N Synonym: 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid PubChem CID: 2795193 SMILES: OB(O)C1=CN=CN=C1

PubChem CID 2795193
CAS 109299-78-7
Molecular Weight (g/mol) 123.91
MDL Number MFCD03002366
SMILES OB(O)C1=CN=CN=C1
Synonym 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid
InChI Key HZFPPBMKGYINDF-UHFFFAOYSA-N
Molecular Formula C4H5BN2O2
8

N1-(4-pyridyl)benzamide, Thermo Scientific™

CAS: 5221-44-3 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00160355 InChI Key: PNWVOLKZHJEWQU-UHFFFAOYSA-N Synonym: n-pyridin-4-yl benzamide,4-benzamidopyridine,n1-4-pyridyl benzamide,n-4-pyridylbenzamide,4-benzoylaminopyridine,pyridine, 4-benzamido,n-4-pyridyl benzamide,benzamide, n-4-pyridinyl-9ci,n-benzoyl-4-aminopyridine,phenyl-n-4-pyridyl carboxamide PubChem CID: 78893 IUPAC Name: N-pyridin-4-ylbenzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2

PubChem CID 78893
CAS 5221-44-3
Molecular Weight (g/mol) 198.225
MDL Number MFCD00160355
SMILES C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2
Synonym n-pyridin-4-yl benzamide,4-benzamidopyridine,n1-4-pyridyl benzamide,n-4-pyridylbenzamide,4-benzoylaminopyridine,pyridine, 4-benzamido,n-4-pyridyl benzamide,benzamide, n-4-pyridinyl-9ci,n-benzoyl-4-aminopyridine,phenyl-n-4-pyridyl carboxamide
IUPAC Name N-pyridin-4-ylbenzamide
InChI Key PNWVOLKZHJEWQU-UHFFFAOYSA-N
Molecular Formula C12H10N2O
9

Cyclohexyl 2-chloroacetate, 97%, Thermo Scientific™

CAS: 6975-91-3 Molecular Formula: C8H13ClO2 Molecular Weight (g/mol): 176.64 MDL Number: MFCD00084989 InChI Key: IBFHBLOKQVCABG-UHFFFAOYSA-N Synonym: cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester PubChem CID: 228008 IUPAC Name: cyclohexyl 2-chloroacetate SMILES: C1CCC(CC1)OC(=O)CCl

PubChem CID 228008
CAS 6975-91-3
Molecular Weight (g/mol) 176.64
MDL Number MFCD00084989
SMILES C1CCC(CC1)OC(=O)CCl
Synonym cyclohexyl chloroacetate,cyclohexyl chloroacetate #,1-chloroacetyl oxy cyclohexane,chloroacetic acid cyclohexyl ester,chloroacetic acid, cyclohexyl ester,acetic acid, 2-chloro-, cyclohexyl ester
IUPAC Name cyclohexyl 2-chloroacetate
InChI Key IBFHBLOKQVCABG-UHFFFAOYSA-N
Molecular Formula C8H13ClO2
10

Methyle4-(trifluoromethoxy)benzoate, 97%, Thermo Scientific™

CAS: 780-31-4 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.147 MDL Number: MFCD00041006 InChI Key: JFFLBWZTJAWGNP-UHFFFAOYSA-N PubChem CID: 737353 IUPAC Name: methyl 4-(trifluoromethoxy)benzoate SMILES: COC(=O)C1=CC=C(C=C1)OC(F)(F)F

PubChem CID 737353
CAS 780-31-4
Molecular Weight (g/mol) 220.147
MDL Number MFCD00041006
SMILES COC(=O)C1=CC=C(C=C1)OC(F)(F)F
IUPAC Name methyl 4-(trifluoromethoxy)benzoate
InChI Key JFFLBWZTJAWGNP-UHFFFAOYSA-N
Molecular Formula C9H7F3O3
11

4-(Piperidinosulfonyl)aniline, 97%, Thermo Scientific™

CAS: 6336-68-1 Molecular Formula: C11H16N2O2S Molecular Weight (g/mol): 240.32 MDL Number: MFCD00276969 InChI Key: ZTTBIWZAAMPNBE-UHFFFAOYSA-N Synonym: 4-piperidin-1-ylsulfonyl aniline,4-1-piperidinylsulfonyl aniline,4-piperidine-1-sulfonyl aniline,4-piperidinosulfonyl aniline,4-piperidine-1-sulfonyl-phenylamine,4-piperidylsulfonyl phenylamine,maybridge1_000153,cambridge id 5358277,acmc-1bh47,p-piperidinylsulfonyl phenylamine PubChem CID: 236648 IUPAC Name: 4-piperidin-1-ylsulfonylaniline SMILES: NC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1

PubChem CID 236648
CAS 6336-68-1
Molecular Weight (g/mol) 240.32
MDL Number MFCD00276969
SMILES NC1=CC=C(C=C1)S(=O)(=O)N1CCCCC1
Synonym 4-piperidin-1-ylsulfonyl aniline,4-1-piperidinylsulfonyl aniline,4-piperidine-1-sulfonyl aniline,4-piperidinosulfonyl aniline,4-piperidine-1-sulfonyl-phenylamine,4-piperidylsulfonyl phenylamine,maybridge1_000153,cambridge id 5358277,acmc-1bh47,p-piperidinylsulfonyl phenylamine
IUPAC Name 4-piperidin-1-ylsulfonylaniline
InChI Key ZTTBIWZAAMPNBE-UHFFFAOYSA-N
Molecular Formula C11H16N2O2S
12

N-Prop-2-ynylurea, Thermo Scientific™

CAS: 5221-62-5 Molecular Formula: C4H6N2O Molecular Weight (g/mol): 98.105 MDL Number: MFCD00052817 InChI Key: LJPYJRMMPVFEKR-UHFFFAOYSA-N Synonym: 1-prop-2-ynyl urea,1-prop-2-yn-1-yl urea,n-prop-2-ynylurea,propargylurea,n-propargylurea,2-propynylurea,prop-2-yn-1-yl urea,prop-2-yn-1-ylurea,prop-2-ynyl-urea,1-prop-2-ynylurea PubChem CID: 2777182 IUPAC Name: prop-2-ynylurea SMILES: C#CCNC(=O)N

PubChem CID 2777182
CAS 5221-62-5
Molecular Weight (g/mol) 98.105
MDL Number MFCD00052817
SMILES C#CCNC(=O)N
Synonym 1-prop-2-ynyl urea,1-prop-2-yn-1-yl urea,n-prop-2-ynylurea,propargylurea,n-propargylurea,2-propynylurea,prop-2-yn-1-yl urea,prop-2-yn-1-ylurea,prop-2-ynyl-urea,1-prop-2-ynylurea
IUPAC Name prop-2-ynylurea
InChI Key LJPYJRMMPVFEKR-UHFFFAOYSA-N
Molecular Formula C4H6N2O
13

Adamantane-1-carbohydrazide, 97%, Thermo Scientific™

CAS: 17846-15-0 Molecular Formula: C11H18N2O Molecular Weight (g/mol): 194.278 InChI Key: FJXQVRADKYKERU-UHFFFAOYSA-N Synonym: adamantanecarbohydrazide,1-adamantanecarbohydrazide,adamantane-1-carboxylic acid hydrazide,tricyclo 3.3.1.1∼3,7∼ decane-1-carbohydrazide,tricyclo 3.3.1.13,7 decane-1-carboxylic acid, hydrazide,pubchem21688,hydrazino 1-adamantyl ketone,3r,5r,7r-adamantane-1-carbohydrazide,z-adamantane-1-carbohydrazonic acid,3r,5s,7s-adamantane-1-carbohydrazide PubChem CID: 337203 IUPAC Name: adamantane-1-carbohydrazide SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)NN

PubChem CID 337203
CAS 17846-15-0
Molecular Weight (g/mol) 194.278
SMILES C1C2CC3CC1CC(C2)(C3)C(=O)NN
Synonym adamantanecarbohydrazide,1-adamantanecarbohydrazide,adamantane-1-carboxylic acid hydrazide,tricyclo 3.3.1.1∼3,7∼ decane-1-carbohydrazide,tricyclo 3.3.1.13,7 decane-1-carboxylic acid, hydrazide,pubchem21688,hydrazino 1-adamantyl ketone,3r,5r,7r-adamantane-1-carbohydrazide,z-adamantane-1-carbohydrazonic acid,3r,5s,7s-adamantane-1-carbohydrazide
IUPAC Name adamantane-1-carbohydrazide
InChI Key FJXQVRADKYKERU-UHFFFAOYSA-N
Molecular Formula C11H18N2O
14

4-(Morpholinosulfonyl)aniline, 97%, Thermo Scientific™

CAS: 21626-70-0 Molecular Formula: C10H14N2O3S Molecular Weight (g/mol): 242.293 MDL Number: MFCD00277213 InChI Key: FTKHPQFFQRKOJC-UHFFFAOYSA-N Synonym: 4-morpholinosulfonyl aniline,4-morpholin-4-ylsulfonyl aniline,4-morpholine-4-sulfonyl aniline,compound 82 208,4-morpholine-4-sulfonyl-phenylamine,4-4-morpholinylsulfonyl aniline,compound 82/208,morpholine, 4-sulfanilyl,sulfanilic acid, morpholide,4-aminophenyl morpholino sulfone PubChem CID: 210794 IUPAC Name: 4-morpholin-4-ylsulfonylaniline SMILES: C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 210794
CAS 21626-70-0
Molecular Weight (g/mol) 242.293
MDL Number MFCD00277213
SMILES C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N
Synonym 4-morpholinosulfonyl aniline,4-morpholin-4-ylsulfonyl aniline,4-morpholine-4-sulfonyl aniline,compound 82 208,4-morpholine-4-sulfonyl-phenylamine,4-4-morpholinylsulfonyl aniline,compound 82/208,morpholine, 4-sulfanilyl,sulfanilic acid, morpholide,4-aminophenyl morpholino sulfone
IUPAC Name 4-morpholin-4-ylsulfonylaniline
InChI Key FTKHPQFFQRKOJC-UHFFFAOYSA-N
Molecular Formula C10H14N2O3S
15

2,6-Dichlorophenylboronic acid, 97%, Thermo Scientific™

CAS: 73852-17-2 Molecular Formula: C6H5BCl2O2 Molecular Weight (g/mol): 190.81 MDL Number: MFCD00064869 InChI Key: CXDPUSMFYPQXCV-UHFFFAOYSA-N Synonym: 2,6-dichlorobenzeneboronic acid,2,6-dichlorophenyl boronic acid,2,6-dichlorophenylboronicacid,2,6-dichlorophenyl boranediol,boronic acid, 2,6-dichlorophenyl,pubchem7938,acmc-1bc3m,ksc489k8l,2,6-dichloro-phenylboronic acid PubChem CID: 2734332 IUPAC Name: (2,6-dichlorophenyl)boronic acid SMILES: OB(O)C1=C(Cl)C=CC=C1Cl

PubChem CID 2734332
CAS 73852-17-2
Molecular Weight (g/mol) 190.81
MDL Number MFCD00064869
SMILES OB(O)C1=C(Cl)C=CC=C1Cl
Synonym 2,6-dichlorobenzeneboronic acid,2,6-dichlorophenyl boronic acid,2,6-dichlorophenylboronicacid,2,6-dichlorophenyl boranediol,boronic acid, 2,6-dichlorophenyl,pubchem7938,acmc-1bc3m,ksc489k8l,2,6-dichloro-phenylboronic acid
IUPAC Name (2,6-dichlorophenyl)boronic acid
InChI Key CXDPUSMFYPQXCV-UHFFFAOYSA-N
Molecular Formula C6H5BCl2O2