Cyclohexanecarboxylic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O2
Molecular Weight	128.169
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

OC(=O)C1CCCCC1

InChI

InChIKey=NZNMSOFKMUBTKW-UHFFFAOYSA-N

InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C7H12O2
Molecular Weight	128.169
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Isolation and preliminary characterization of the medium-chain fatty acid:CoA ligase responsible for activation of short- and medium-chain fatty acids in colonic mucosa from swine.	2001 Feb	11281196
Synthesis of a broad array of highly functionalized, enantiomerically pure cyclohexanecarboxylic acid derivatives by microbial dihydroxylation of benzoic acid and subsequent oxidative and rearrangement reactions.	2001 Sep 6	11529791
High-performance nanocatalysts for single-step hydrogenations.	2003 Jan	12534301
Acid-controlled photoreactions of aryl alkanoates: competition of transesterification, decarboxylation, Fries-rearrangement and/or transposition.	2003 Nov	14690233
Enhancement and selective production of phoslactomycin B, a protein phosphatase IIa inhibitor, through identification and engineering of the corresponding biosynthetic gene cluster.	2003 Sep 12	12819191

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Substance Class	Chemical
Record UNII	H9VKD9VL18
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

Cyclohexanecarboxylic acid

Systematic Name

English

FEMA NO. 3531

Code

English

Carboxycyclohexane

Systematic Name

English

Benzoic acid, hexahydro-

Common Name

English

Cyclohexanecarboxylic acid [FHFI]

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

CYCLOHEXANECARBOXYLIC ACID

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Code System

Code

Type

Description

FDA UNII

H9VKD9VL18

PRIMARY

EPA CompTox

DTXSID8059180

PRIMARY

PUBCHEM

7413

PRIMARY

MERCK INDEX

m3987

PRIMARY

Merck Index

SMS_ID

300000044627

PRIMARY

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SMILES

InChI

Approval Year

PubMed

Patents