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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376 – 390 of 2,352 results

376

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Isopentyl butyrate, 98%

CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C

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PubChem CID	7795
CAS	106-27-4
Molecular Weight (g/mol)	158.24
ChEBI	CHEBI:87422
MDL Number	MFCD00044888
SMILES	CCCC(=O)OCCC(C)C
Synonym	isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate
IUPAC Name	3-methylbutyl butanoate
InChI Key	PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Molecular Formula	C9H18O2

377

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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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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

378

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Ethyl levulinate, 98%

CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O

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PubChem CID	10883
CAS	539-88-8
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009209
SMILES	CCOC(=O)CCC(C)=O
Synonym	ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate
IUPAC Name	ethyl 4-oxopentanoate
InChI Key	GMEONFUTDYJSNV-UHFFFAOYSA-N
Molecular Formula	C7H12O3

379

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5-Norbornene-2-carboxylic acid, 98%, mixture of endo and exo

CAS: 120-74-1 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.16 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

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PubChem CID	78949
CAS	120-74-1
Molecular Weight (g/mol)	138.16
SMILES	C1C2CC(C1C=C2)C(=O)O
Synonym	5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid
IUPAC Name	bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
InChI Key	FYGUSUBEMUKACF-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

380

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Ethyl phenylcyanoacetate, 97%

CAS: 4553-07-5 Molecular Formula: C₁₁H₁₁NO₂ Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1

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CAS	4553-07-5
Molecular Weight (g/mol)	189.21
MDL Number	MFCD00001866
SMILES	CCOC(=O)C(C#N)C1=CC=CC=C1
InChI Key	SXIRJEDGTAKGKU-UHFFFAOYNA-N
Molecular Formula	C₁₁H₁₁NO₂

381

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3-(Tritylthio)propionic acid, 97%

CAS: 27144-18-9 Molecular Formula: C22H20O2S Molecular Weight (g/mol): 348.46 MDL Number: MFCD00237291 InChI Key: AECGEIVNZGQBJT-UHFFFAOYSA-N Synonym: 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid PubChem CID: 262767 IUPAC Name: 3-tritylsulfanylpropanoic acid SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	262767
CAS	27144-18-9
Molecular Weight (g/mol)	348.46
MDL Number	MFCD00237291
SMILES	OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid
IUPAC Name	3-tritylsulfanylpropanoic acid
InChI Key	AECGEIVNZGQBJT-UHFFFAOYSA-N
Molecular Formula	C22H20O2S

382

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1-Phenylcyclopentanecarboxylic acid, 98%

CAS: 77-55-4 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00001372 InChI Key: RHPCYZLXNNRRMB-UHFFFAOYSA-N Synonym: 1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid PubChem CID: 66167 IUPAC Name: 1-phenylcyclopentane-1-carboxylic acid SMILES: OC(=O)C1(CCCC1)C1=CC=CC=C1

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PubChem CID	66167
CAS	77-55-4
Molecular Weight (g/mol)	190.24
MDL Number	MFCD00001372
SMILES	OC(=O)C1(CCCC1)C1=CC=CC=C1
Synonym	1-phenylcyclopentanecarboxylic acid,1-phenyl-1-cyclopentanecarboxylic acid,cyclopentanecarboxylic acid, 1-phenyl,1-phenyl-cyclopentanecarboxylic acid,1-phenylcyclopentane carboxylic acid,cyclopentanecarboxylicacid, 1-phenyl,pubchem22923,acmc-209pao,phenylcyclopentanecarboxylic acid,phenylcyclopentane carboxylic acid
IUPAC Name	1-phenylcyclopentane-1-carboxylic acid
InChI Key	RHPCYZLXNNRRMB-UHFFFAOYSA-N
Molecular Formula	C12H14O2

383

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Ethyl isobutyrate, 99%

CAS: 97-62-1 Molecular Formula: C₆H₁₂O₂ Molecular Weight (g/mol): 116.18 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C

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PubChem CID	7342
CAS	97-62-1
Molecular Weight (g/mol)	116.18
ChEBI	CHEBI:87303
MDL Number	MFCD00009165
SMILES	CCOC(=O)C(C)C
Synonym	ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural
IUPAC Name	ethyl 2-methylpropanoate
InChI Key	WDAXFOBOLVPGLV-UHFFFAOYSA-N
Molecular Formula	C₆H₁₂O₂

384

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3-Cyanophenylacetic acid, 95%

CAS: 1878-71-3 Molecular Formula: C₉H₇NO₂ Molecular Weight (g/mol): 161.16 InChI Key: ZNXMNKGBHYVNNE-UHFFFAOYSA-N PubChem CID: 1519397 IUPAC Name: 2-(3-cyanophenyl)acetic acid SMILES: C1=CC(=CC(=C1)CC(=O)O)C#N

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PubChem CID	1519397
CAS	1878-71-3
Molecular Weight (g/mol)	161.16
SMILES	C1=CC(=CC(=C1)CC(=O)O)C#N
IUPAC Name	2-(3-cyanophenyl)acetic acid
InChI Key	ZNXMNKGBHYVNNE-UHFFFAOYSA-N
Molecular Formula	C₉H₇NO₂

385

Ethyl 3-methyl-1H-pyrazole-5-carboxylate, 95%, Thermo Scientific™

CAS: 4027-57-0 Molecular Formula: C7H10N2O2 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00052514 InChI Key: BOTXQJAHRCGJEG-UHFFFAOYSA-N PubChem CID: 77645 IUPAC Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(C)=C1

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PubChem CID	77645
CAS	4027-57-0
Molecular Weight (g/mol)	154.17
MDL Number	MFCD00052514
SMILES	CCOC(=O)C1=NNC(C)=C1
IUPAC Name	ethyl 5-methyl-1H-pyrazole-3-carboxylate
InChI Key	BOTXQJAHRCGJEG-UHFFFAOYSA-N
Molecular Formula	C7H10N2O2

386

Ethyl benzimidazole-4-carboxylate, 95%, Thermo Scientific Chemicals

CAS: 167487-83-4 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD18251681,MFCD20692524 InChI Key: BIROFVBTDWNLKU-UHFFFAOYSA-N Synonym: ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester PubChem CID: 13180239 IUPAC Name: ethyl 1H-1,3-benzodiazole-4-carboxylate SMILES: CCOC(=O)C1=C2N=CNC2=CC=C1

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PubChem CID	13180239
CAS	167487-83-4
Molecular Weight (g/mol)	190.20
MDL Number	MFCD18251681,MFCD20692524
SMILES	CCOC(=O)C1=C2N=CNC2=CC=C1
Synonym	ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester
IUPAC Name	ethyl 1H-1,3-benzodiazole-4-carboxylate
InChI Key	BIROFVBTDWNLKU-UHFFFAOYSA-N
Molecular Formula	C10H10N2O2

387

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Methacrylic acid, 99%, stab. with 100-250ppm hydroquinone or 4-methoxyphenol

CAS: 79-41-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002651 InChI Key: CERQOIWHTDAKMF-UHFFFAOYSA-N Synonym: methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl PubChem CID: 4093 ChEBI: CHEBI:25219 IUPAC Name: 2-methylprop-2-enoic acid

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PubChem CID	4093
CAS	79-41-4
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:25219
MDL Number	MFCD00002651
Synonym	methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl
IUPAC Name	2-methylprop-2-enoic acid
InChI Key	CERQOIWHTDAKMF-UHFFFAOYSA-N
Molecular Formula	C4H6O2

388

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Ethyl valerate, 98%

CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC

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PubChem CID	10882
CAS	539-82-2
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00009479
SMILES	CCCCC(=O)OCC
Synonym	ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462
IUPAC Name	ethyl pentanoate
InChI Key	ICMAFTSLXCXHRK-UHFFFAOYSA-N
Molecular Formula	C7H14O2

389

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Butyl Butyrate, 98%, Spectrum™ Chemical

CAS: 109-21-7

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CAS	109-21-7

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Ethyl cyanoformate, 99%

CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N

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PubChem CID	69336
CAS	623-49-4
Molecular Weight (g/mol)	99.09
MDL Number	MFCD00001836
SMILES	CCOC(=O)C#N
Synonym	carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate
IUPAC Name	ethyl cyanoformate
InChI Key	MSMGXWFHBSCQFB-UHFFFAOYSA-N
Molecular Formula	C4H5NO2

Monocarboxylic acids and derivatives

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