Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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166 – 180 of 2,269 results

166

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Cycloheptanecarboxylic acid, 95%

CAS: 1460-16-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00004152 InChI Key: VZFUCHSFHOYXIS-UHFFFAOYSA-N Synonym: cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid PubChem CID: 15091 ChEBI: CHEBI:29564 IUPAC Name: cycloheptanecarboxylic acid SMILES: OC(=O)C1CCCCCC1

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Specifications

PubChem CID	15091
CAS	1460-16-8
Molecular Weight (g/mol)	142.20
ChEBI	CHEBI:29564
MDL Number	MFCD00004152
SMILES	OC(=O)C1CCCCCC1
Synonym	cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid
IUPAC Name	cycloheptanecarboxylic acid
InChI Key	VZFUCHSFHOYXIS-UHFFFAOYSA-N
Molecular Formula	C8H14O2

167

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Cyclopropanecarboxylic acid, 98%

CAS: 1759-53-1 Molecular Formula: C₄H₆O₂ Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O

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PubChem CID	15655
CAS	1759-53-1
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:23500
MDL Number	MFCD00001287
SMILES	C1CC1C(=O)O
Synonym	carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid
IUPAC Name	cyclopropanecarboxylic acid
InChI Key	YMGUBTXCNDTFJI-UHFFFAOYSA-N
Molecular Formula	C₄H₆O₂

168

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Ethyl thiophene-3-carboxylate, 98%

CAS: 5751-80-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD02179226 InChI Key: OYSLMAQEMAJMCL-UHFFFAOYSA-N Synonym: ethyl 3-thenoate,ethyl 3-thiophenecarboxylate,ethylthiophene-3-carboxylate,3-ethoxycarbonyl thiophene,3-thiophenecarboxylic acid ethyl ester,3-thiophenecarboxylic acid, ethyl ester,thiophene-3-carboxylic acid ethyl ester,pubchem16116,ksc493o3n PubChem CID: 79824 IUPAC Name: ethyl thiophene-3-carboxylate SMILES: CCOC(=O)C1=CSC=C1

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PubChem CID	79824
CAS	5751-80-4
Molecular Weight (g/mol)	156.199
MDL Number	MFCD02179226
SMILES	CCOC(=O)C1=CSC=C1
Synonym	ethyl 3-thenoate,ethyl 3-thiophenecarboxylate,ethylthiophene-3-carboxylate,3-ethoxycarbonyl thiophene,3-thiophenecarboxylic acid ethyl ester,3-thiophenecarboxylic acid, ethyl ester,thiophene-3-carboxylic acid ethyl ester,pubchem16116,ksc493o3n
IUPAC Name	ethyl thiophene-3-carboxylate
InChI Key	OYSLMAQEMAJMCL-UHFFFAOYSA-N
Molecular Formula	C7H8O2S

169

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Benzyl acetate, 99%

CAS: 140-11-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008712 InChI Key: QUKGYYKBILRGFE-UHFFFAOYSA-N Synonym: acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea PubChem CID: 8785 ChEBI: CHEBI:52051 IUPAC Name: benzyl acetate SMILES: CC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	8785
CAS	140-11-4
Molecular Weight (g/mol)	150.177
ChEBI	CHEBI:52051
MDL Number	MFCD00008712
SMILES	CC(=O)OCC1=CC=CC=C1
Synonym	acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea
IUPAC Name	benzyl acetate
InChI Key	QUKGYYKBILRGFE-UHFFFAOYSA-N
Molecular Formula	C9H10O2

170

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Nickel(II) acetate tetrahydrate, 98+%

CAS: 6018-89-9 Molecular Formula: C4H14NiO8 Molecular Weight (g/mol): 248.84 MDL Number: MFCD00066973 InChI Key: OINIXPNQKAZCRL-UHFFFAOYSA-L Synonym: nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate PubChem CID: 62601 IUPAC Name: nickel(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O

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PubChem CID	62601
CAS	6018-89-9
Molecular Weight (g/mol)	248.84
MDL Number	MFCD00066973
SMILES	O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O
Synonym	nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate
IUPAC Name	nickel(2+);diacetate;tetrahydrate
InChI Key	OINIXPNQKAZCRL-UHFFFAOYSA-L
Molecular Formula	C4H14NiO8

171

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2-Naphthylacetic acid, 99%

CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	11393
CAS	581-96-4
Molecular Weight (g/mol)	186.21
ChEBI	CHEBI:37837
MDL Number	MFCD00004126
SMILES	OC(=O)CC1=CC=C2C=CC=CC2=C1
Synonym	2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid
IUPAC Name	2-naphthalen-2-ylacetic acid
InChI Key	VIBOGIYPPWLDTI-UHFFFAOYSA-N
Molecular Formula	C12H10O2

172

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3-Mercaptopropionic acid, 98%

CAS: 107-96-0 Molecular Formula: C₃H₆O₂S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004897 InChI Key: DKIDEFUBRARXTE-UHFFFAOYSA-N Synonym: 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid PubChem CID: 6514 ChEBI: CHEBI:44111 IUPAC Name: 3-sulfanylpropanoic acid SMILES: C(CS)C(=O)O

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PubChem CID	6514
CAS	107-96-0
Molecular Weight (g/mol)	106.14
ChEBI	CHEBI:44111
MDL Number	MFCD00004897
SMILES	C(CS)C(=O)O
Synonym	3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid
IUPAC Name	3-sulfanylpropanoic acid
InChI Key	DKIDEFUBRARXTE-UHFFFAOYSA-N
Molecular Formula	C₃H₆O₂S

173

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Ethyl butyrate, 99%

CAS: 105-54-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009394 InChI Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonym: ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 PubChem CID: 7762 IUPAC Name: ethyl butanoate SMILES: CCCC(=O)OCC

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PubChem CID	7762
CAS	105-54-4
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009394
SMILES	CCCC(=O)OCC
Synonym	ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427
IUPAC Name	ethyl butanoate
InChI Key	OBNCKNCVKJNDBV-UHFFFAOYSA-N
Molecular Formula	C6H12O2

174

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3,5-Dimethyl-1-adamantaneacetic acid, 97%

CAS: 14202-14-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00077207 InChI Key: FUOXJVUIQUYDDI-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1-adamantyl acetic acid,3,5-dimethyl-1-adamantaneacetic acid,3,5-dimethyladamantane-1-acetic acid,2-3,5-dimethyl-1-adamantyl acetic acid,2-3,5-dimethyladamantan-1-yl acetic acid,3,5-dimethyladamantan-1-yl acetic acid,2-3,5-dimethyladamantanyl acetic acid,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,acmc-20ancc,3,5-dimethyladamantaneacetic acid PubChem CID: 4067589 IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)acetic acid SMILES: CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C

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Specifications

PubChem CID	4067589
CAS	14202-14-3
Molecular Weight (g/mol)	222.328
MDL Number	MFCD00077207
SMILES	CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C
Synonym	3,5-dimethyl-1-adamantyl acetic acid,3,5-dimethyl-1-adamantaneacetic acid,3,5-dimethyladamantane-1-acetic acid,2-3,5-dimethyl-1-adamantyl acetic acid,2-3,5-dimethyladamantan-1-yl acetic acid,3,5-dimethyladamantan-1-yl acetic acid,2-3,5-dimethyladamantanyl acetic acid,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,acmc-20ancc,3,5-dimethyladamantaneacetic acid
IUPAC Name	2-(3,5-dimethyl-1-adamantyl)acetic acid
InChI Key	FUOXJVUIQUYDDI-UHFFFAOYSA-N
Molecular Formula	C14H22O2

175

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1-Methylindazole-3-carboxylic acid, 97%

CAS: 50890-83-0 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00272569 InChI Key: OVVDFORZEGKEJM-UHFFFAOYSA-N Synonym: 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid PubChem CID: 689105 IUPAC Name: 1-methylindazole-3-carboxylic acid SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O

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PubChem CID	689105
CAS	50890-83-0
Molecular Weight (g/mol)	176.175
MDL Number	MFCD00272569
SMILES	CN1C2=CC=CC=C2C(=N1)C(=O)O
Synonym	1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid
IUPAC Name	1-methylindazole-3-carboxylic acid
InChI Key	OVVDFORZEGKEJM-UHFFFAOYSA-N
Molecular Formula	C9H8N2O2

176

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3-(3-Bromophenyl)propionic acid, 97%

CAS: 42287-90-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310792 InChI Key: DWKWMFSWLCIMKI-UHFFFAOYSA-N Synonym: 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid PubChem CID: 2063862 IUPAC Name: 3-(3-bromophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)Br)CCC(=O)O

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Specifications

PubChem CID	2063862
CAS	42287-90-1
Molecular Weight (g/mol)	229.073
MDL Number	MFCD01310792
SMILES	C1=CC(=CC(=C1)Br)CCC(=O)O
Synonym	3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid
IUPAC Name	3-(3-bromophenyl)propanoic acid
InChI Key	DWKWMFSWLCIMKI-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

177

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2-Methylbutyric acid, 98%

CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O

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PubChem CID	8314
CAS	116-53-0
Molecular Weight (g/mol)	102.133
ChEBI	CHEBI:37070
MDL Number	MFCD00002669
SMILES	CCC(C)C(=O)O
Synonym	2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl
IUPAC Name	2-methylbutanoic acid
InChI Key	WLAMNBDJUVNPJU-UHFFFAOYSA-N
Molecular Formula	C5H10O2

178

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Benzyl L-lactate, 97%

CAS: 56777-24-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00209546 InChI Key: ZYTLPUIDJRKAAM-QMMMGPOBSA-N Synonym: benzyl s---lactate,benzyl l-lactate,benzyl s-lactate,s---lactic acid benzyl ester,benzyl 2s-2-hydroxypropanoate,benzyl-l-lactate,s-benzyllactate,s-benzyl lactate,s-lactic acid benzyl ester,2s-lactic acid benzyl ester PubChem CID: 11052238 IUPAC Name: benzyl (2S)-2-hydroxypropanoate SMILES: CC(C(=O)OCC1=CC=CC=C1)O

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PubChem CID	11052238
CAS	56777-24-3
Molecular Weight (g/mol)	180.203
MDL Number	MFCD00209546
SMILES	CC(C(=O)OCC1=CC=CC=C1)O
Synonym	benzyl s---lactate,benzyl l-lactate,benzyl s-lactate,s---lactic acid benzyl ester,benzyl 2s-2-hydroxypropanoate,benzyl-l-lactate,s-benzyllactate,s-benzyl lactate,s-lactic acid benzyl ester,2s-lactic acid benzyl ester
IUPAC Name	benzyl (2S)-2-hydroxypropanoate
InChI Key	ZYTLPUIDJRKAAM-QMMMGPOBSA-N
Molecular Formula	C10H12O3

179

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trans-Indole-3-acrylic acid, 98+%

CAS: 29953-71-7 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O

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Specifications

PubChem CID	5375048
CAS	29953-71-7
Molecular Weight (g/mol)	187.198
MDL Number	MFCD00005633
SMILES	C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
Synonym	3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van
IUPAC Name	(E)-3-(1H-indol-3-yl)prop-2-enoic acid
InChI Key	PLVPPLCLBIEYEA-AATRIKPKSA-N
Molecular Formula	C11H9NO2

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1-Phenylcyclopropanecarboxylic acid, 97%

CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	80206
CAS	6120-95-2
Molecular Weight (g/mol)	162.188
MDL Number	MFCD00001288
SMILES	C1CC1(C2=CC=CC=C2)C(=O)O
Synonym	1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid
IUPAC Name	1-phenylcyclopropane-1-carboxylic acid
InChI Key	IWWCCNVRNHTGLV-UHFFFAOYSA-N
Molecular Formula	C10H10O2

Monocarboxylic acids and derivatives

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