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.

121 – 135 of 2,472 results

121

Cyclopentylacetic acid, 97%

CAS: 1123-00-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001387 InChI Key: YVHAIVPPUIZFBA-UHFFFAOYSA-N Synonym: cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid PubChem CID: 71606 IUPAC Name: 2-cyclopentylacetic acid SMILES: OC(=O)CC1CCCC1

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Specifications

PubChem CID	71606
CAS	1123-00-8
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00001387
SMILES	OC(=O)CC1CCCC1
Synonym	cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid
IUPAC Name	2-cyclopentylacetic acid
InChI Key	YVHAIVPPUIZFBA-UHFFFAOYSA-N
Molecular Formula	C7H12O2

122

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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Specifications

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

123

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

124

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

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Specifications

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

125

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O

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Specifications

PubChem CID	587721
CAS	5744-56-9
Molecular Weight (g/mol)	140.14
MDL Number	MFCD00159636
SMILES	CN1N=C(C)C=C1C(O)=O
Synonym	1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl
IUPAC Name	2,5-dimethylpyrazole-3-carboxylic acid
InChI Key	QRWZFUBHOQWUGH-UHFFFAOYSA-N
Molecular Formula	C6H8N2O2

126

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

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	72899
CAS	1477-50-5
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005611
SMILES	OC(=O)C1=CC2=CC=CC=C2N1
Synonym	indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole
IUPAC Name	1H-indole-2-carboxylic acid
InChI Key	HCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

127

1-Methyl-1H-pyrazole-3-carboxylic acid, 95%, Thermo Scientific™

CAS: 25016-20-0 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.12 MDL Number: MFCD00464254 InChI Key: YBFIKNNFQIBIQZ-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid PubChem CID: 573176 ChEBI: CHEBI:74738 IUPAC Name: 1-methylpyrazole-3-carboxylic acid SMILES: CN1C=CC(=N1)C(O)=O

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Specifications

PubChem CID	573176
CAS	25016-20-0
Molecular Weight (g/mol)	126.12
ChEBI	CHEBI:74738
MDL Number	MFCD00464254
SMILES	CN1C=CC(=N1)C(O)=O
Synonym	1-methyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylic acid, 1-methyl,3-carboxy-1-methyl-1h-pyrazole,zlchem 1152,acmc-209ggi,1-methylpyrazolecarboxylic acid,1-methyl-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid, 1-methyl,1h-pyrazole-3-carboxylicacid, 1-methyl,1-methyl-1h-4-pyrazole-3-carboxylic acid
IUPAC Name	1-methylpyrazole-3-carboxylic acid
InChI Key	YBFIKNNFQIBIQZ-UHFFFAOYSA-N
Molecular Formula	C5H6N2O2

128

2,3-Dimethyl-quinoxaline-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 17635-26-6 Molecular Formula: C11H9N2O2 Molecular Weight (g/mol): 201.21 MDL Number: MFCD02575516 InChI Key: RCACNAWRFYUKLC-UHFFFAOYSA-M Synonym: 2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl PubChem CID: 236268 SMILES: CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O

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Specifications

PubChem CID	236268
CAS	17635-26-6
Molecular Weight (g/mol)	201.21
MDL Number	MFCD02575516
SMILES	CC1=C(C)N=C2C=C(C=CC2=N1)C([O-])=O
Synonym	2,3-dimethyl-quinoxaline-6-carboxylic acid,2,3-dimethyl-6-quinoxalinecarboxylic acid,6-quinoxalinecarboxylicacid, 2,3-dimethyl,6-quinoxalinecarboxylic acid, 2,3-dimethyl
InChI Key	RCACNAWRFYUKLC-UHFFFAOYSA-M
Molecular Formula	C11H9N2O2

129

2-Keto-D-gluconic acid, hemicalcium salt monohydrate, >98%, MP Biomedicals™

CAS: 3470-37-9 Molecular Formula: C12H20CaO14 Molecular Weight (g/mol): 428.356 MDL Number: MFCD00149104 InChI Key: QACANIDDQFGAJU-JQTJLMCZSA-N Synonym: calcium 2-keto-d-gluconate PubChem CID: 131852723 IUPAC Name: calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid SMILES: C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]

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Specifications

PubChem CID	131852723
CAS	3470-37-9
Molecular Weight (g/mol)	428.356
MDL Number	MFCD00149104
SMILES	C(C(C(C(C(=O)C(=O)O)O)O)O)O.C(C(C(C(C(=O)C(=O)O)O)O)O)O.[Ca]
Synonym	calcium 2-keto-d-gluconate
IUPAC Name	calcium;(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid
InChI Key	QACANIDDQFGAJU-JQTJLMCZSA-N
Molecular Formula	C12H20CaO14

130

cis-3-Hexenyl acetate, 98+%

CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C

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Specifications

PubChem CID	5363388
CAS	3681-71-8
Molecular Weight (g/mol)	142.198
ChEBI	CHEBI:61316
MDL Number	MFCD00036563
SMILES	CCC=CCCOC(=O)C
Synonym	cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate
IUPAC Name	[(Z)-hex-3-enyl] acetate
InChI Key	NPFVOOAXDOBMCE-PLNGDYQASA-N
Molecular Formula	C8H14O2

131

Ethyl trans-4-decenoate, 97%

CAS: 76649-16-6 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00015574 InChI Key: AWNIQMQADACLCJ-CMDGGOBGSA-N Synonym: ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate PubChem CID: 5362583 IUPAC Name: ethyl (E)-dec-4-enoate SMILES: CCCCC\C=C\CCC(=O)OCC

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Specifications

PubChem CID	5362583
CAS	76649-16-6
Molecular Weight (g/mol)	198.31
MDL Number	MFCD00015574
SMILES	CCCCC\C=C\CCC(=O)OCC
Synonym	ethyl trans-4-decenoate,ethyl e-4-decenoate,ethyl 4-decenoate,4-decenoic acid, ethyl ester, e,ethyl 4e-decenoate,fema no. 3642,ethyl 4e-dec-4-enoate,ethyl trans-dec-4-enoate,ethyl e-dec-4-enoate,ethyl 4e-4-decenoate
IUPAC Name	ethyl (E)-dec-4-enoate
InChI Key	AWNIQMQADACLCJ-CMDGGOBGSA-N
Molecular Formula	C12H22O2

132

Ethyl 3-hexenoate, 98%

CAS: 2396-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036524 InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N Synonym: ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e PubChem CID: 5362622 IUPAC Name: ethyl (E)-hex-3-enoate SMILES: CCOC(=O)C\C=C\CC

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Specifications

PubChem CID	5362622
CAS	2396-83-0
Molecular Weight (g/mol)	142.20
MDL Number	MFCD00036524
SMILES	CCOC(=O)C\C=C\CC
Synonym	ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e
IUPAC Name	ethyl (E)-hex-3-enoate
InChI Key	VTSFIPHRNAESED-AATRIKPKSA-N
Molecular Formula	C8H14O2

133

n-Butyl propionate, 99%

CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC

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Specifications

PubChem CID	11529
CAS	590-01-2
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00009448
SMILES	CCCCOC(=O)CC
Synonym	butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate
IUPAC Name	butyl propanoate
InChI Key	BTMVHUNTONAYDX-UHFFFAOYSA-N
Molecular Formula	C7H14O2

134

3-Cyclopentylpropionic acid, 98%

CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1

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Specifications

PubChem CID	8818
CAS	140-77-2
Molecular Weight (g/mol)	142.20
ChEBI	CHEBI:50899
MDL Number	MFCD00001392
SMILES	OC(=O)CCC1CCCC1
Synonym	3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate
IUPAC Name	3-cyclopentylpropanoic acid
InChI Key	ZRPLANDPDWYOMZ-UHFFFAOYSA-N
Molecular Formula	C8H14O2

135

Isovaleric acid, 98%

CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O

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Specifications

PubChem CID	10430
CAS	503-74-2
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:28484
MDL Number	MFCD00002726
SMILES	CC(C)CC(O)=O
Synonym	isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid
IUPAC Name	3-methylbutanoic acid
InChI Key	GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Formula	C5H10O2

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