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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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1 – 15 of 15 results
1

2-Keto-D-gluconic acid hemicalcium salt monohydrate, 99%

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]

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
2

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]

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
3

Ethyl propionate

CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC

PubChem CID 7749
CAS 105-37-3
Molecular Weight (g/mol) 102.133
ChEBI CHEBI:41330
MDL Number MFCD00009308
SMILES CCC(=O)OCC
Synonym ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester
IUPAC Name ethyl propanoate
InChI Key FKRCODPIKNYEAC-UHFFFAOYSA-N
Molecular Formula C5H10O2
4

Benzimidazole-5-carboxylic acid, 98%

CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 SMILES: OC(=O)C1=CC=C2N=CNC2=C1

PubChem CID 459456
CAS 15788-16-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD00011555
SMILES OC(=O)C1=CC=C2N=CNC2=C1
Synonym 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid
InChI Key COYPLDIXZODDDL-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
5
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1H-Benzimidazole-5-carboxylic acid, 98%

CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 3H-benzimidazole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1

PubChem CID 459456
CAS 15788-16-6
Molecular Weight (g/mol) 162.15
MDL Number MFCD00011555
SMILES OC(=O)C1=CC=C2N=CNC2=C1
Synonym 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid
IUPAC Name 3H-benzimidazole-5-carboxylic acid
InChI Key COYPLDIXZODDDL-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
6

1H-Benzimidazole-4-carboxylic acid, 97%

CAS: 46006-36-4 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD01823426 InChI Key: VVQNAFBGAWCMLU-UHFFFAOYSA-N Synonym: 1h-benzoimidazole-4-carboxylic acid,1h-benzimidazole-7-carboxylic acid,benzimidazole-4-carboxylic acid,1h-benzo d imidazole-4-carboxylic acid,1h-1,3-benzodiazole-4-carboxylic acid,1h-benzo d imidazole-7-carboxylic acid,3h-1,3-benzodiazole-4-carboxylic acid,1h-benzimidazole-4-carboxylicacid,acmc-1aqhf,4-carboxy-1h-benzimidazole PubChem CID: 2771758 SMILES: OC(=O)C1=C2N=CNC2=CC=C1

PubChem CID 2771758
CAS 46006-36-4
Molecular Weight (g/mol) 162.15
MDL Number MFCD01823426
SMILES OC(=O)C1=C2N=CNC2=CC=C1
Synonym 1h-benzoimidazole-4-carboxylic acid,1h-benzimidazole-7-carboxylic acid,benzimidazole-4-carboxylic acid,1h-benzo d imidazole-4-carboxylic acid,1h-1,3-benzodiazole-4-carboxylic acid,1h-benzo d imidazole-7-carboxylic acid,3h-1,3-benzodiazole-4-carboxylic acid,1h-benzimidazole-4-carboxylicacid,acmc-1aqhf,4-carboxy-1h-benzimidazole
InChI Key VVQNAFBGAWCMLU-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
7

Benzothiazole-6-carboxylic acid, 96%

CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1

PubChem CID 601670
CAS 3622-35-3
Molecular Weight (g/mol) 179.19
MDL Number MFCD00111651
SMILES OC(=O)C1=CC=C2N=CSC2=C1
Synonym benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2
IUPAC Name 1,3-benzothiazole-6-carboxylic acid
InChI Key DMPZJACLHDWUFS-UHFFFAOYSA-N
Molecular Formula C8H5NO2S
8

Benzothiazole-6-carboxylic acid, 96%

CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1

PubChem CID 601670
CAS 3622-35-3
Molecular Weight (g/mol) 179.19
MDL Number MFCD00111651
SMILES OC(=O)C1=CC=C2N=CSC2=C1
Synonym benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2
IUPAC Name 1,3-benzothiazole-6-carboxylic acid
InChI Key DMPZJACLHDWUFS-UHFFFAOYSA-N
Molecular Formula C8H5NO2S
9
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Butyl Acetate, puriss. p.a., ACS Reagent, ≥99.5% (GC), Honeywell Riedel-de Haën™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

PubChem CID 31272
CAS 123-86-4
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:31328
MDL Number MFCD00009445
SMILES CCCCOC(C)=O
Synonym n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name butyl acetate
InChI Key DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula C6H12O2
10

Ethyl 2-aminobenzothiazole-6-carboxylate, 97%, Thermo Scientific Chemicals

CAS: 50850-93-6 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.262 MDL Number: MFCD00102724 InChI Key: VYJSGJXWKSDUSG-UHFFFAOYSA-N PubChem CID: 601008 IUPAC Name: ethyl 2-amino-1,3-benzothiazole-6-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N

PubChem CID 601008
CAS 50850-93-6
Molecular Weight (g/mol) 222.262
MDL Number MFCD00102724
SMILES CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N
IUPAC Name ethyl 2-amino-1,3-benzothiazole-6-carboxylate
InChI Key VYJSGJXWKSDUSG-UHFFFAOYSA-N
Molecular Formula C10H10N2O2S
11

Isopropyl Acetate, ≥99.6%, Honeywell™

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.133
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2
12

Isopropyl Acetate, 98%, Honeywell™

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.133
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2
13

Isopentyl Acetate, Reagent grade, 98%, Honeywell™

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
14

Isobutyl Acetate, 99%, Honeywell™

CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O

PubChem CID 8038
CAS 110-19-0
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:50569
MDL Number MFCD00008932
SMILES CC(C)COC(C)=O
Synonym isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate
IUPAC Name 2-methylpropyl acetate
InChI Key GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Formula C6H12O2
15

Butyl Acetate, Reagent Grade, 99.5%, Honeywell™

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

PubChem CID 31272
CAS 123-86-4
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:31328
MDL Number MFCD00009445
SMILES CCCCOC(C)=O
Synonym n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name butyl acetate
InChI Key DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula C6H12O2