o-Tolyl cyclohexanecarboxylate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18O2
Molecular Weight	218.2915
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of o-Tolyl cyclohexanecarboxylate

Structure Search

SMILES

CC1=CC=CC=C1OC(=O)C2CCCCC2

InChI

InChIKey=UTBUSXPYYDGYGA-UHFFFAOYSA-N

InChI=1S/C14H18O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula	C14H18O2
Molecular Weight	218.2915
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:59:25 GMT 2025` Edited by `admin` on `Tue Apr 01 18:59:25 GMT 2025`
Record UNII	G268Z47DAT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methylphenyl cyclohexanecarboxylate

Preferred Name

English

o-Tolyl cyclohexanecarboxylate

Systematic Name

English

Cyclohexanecarboxylic acid, 2-methylphenyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

87765

Created by admin on Tue Apr 01 18:59:25 GMT 2025 , Edited by admin on Tue Apr 01 18:59:25 GMT 2025

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FDA UNII

G268Z47DAT

Created by admin on Tue Apr 01 18:59:25 GMT 2025 , Edited by admin on Tue Apr 01 18:59:25 GMT 2025

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CAS

18731-58-3

Created by admin on Tue Apr 01 18:59:25 GMT 2025 , Edited by admin on Tue Apr 01 18:59:25 GMT 2025

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ECHA (EC/EINECS)

242-541-7

Created by admin on Tue Apr 01 18:59:25 GMT 2025 , Edited by admin on Tue Apr 01 18:59:25 GMT 2025

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EPA CompTox

DTXSID10172040

Created by admin on Tue Apr 01 18:59:25 GMT 2025 , Edited by admin on Tue Apr 01 18:59:25 GMT 2025

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