3-Methylphenyl 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 3-Methylphenyl cyclohexanecarboxylate

Structure Search

SMILES

CC1=CC=CC(OC(=O)C2CCCCC2)=C1

InChI

InChIKey=WSOGYYKXYMIDJU-UHFFFAOYSA-N

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

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 `Sat Dec 16 11:56:50 GMT 2023` Edited by `admin` on `Sat Dec 16 11:56:50 GMT 2023`
Record UNII	AF7PP7CPM4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methylphenyl cyclohexanecarboxylate

Systematic Name

English

Cyclohexanecarboxylic acid, m-tolyl ester

Systematic Name

English

Cyclohexanecarboxylic acid, 3-methylphenyl ester

Systematic Name

English

m-Tolyl cyclohexanecarboxylate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

242-542-2

Created by admin on Sat Dec 16 11:56:50 GMT 2023 , Edited by admin on Sat Dec 16 11:56:50 GMT 2023

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PUBCHEM

87766

Created by admin on Sat Dec 16 11:56:50 GMT 2023 , Edited by admin on Sat Dec 16 11:56:50 GMT 2023

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CAS

18731-59-4

Created by admin on Sat Dec 16 11:56:50 GMT 2023 , Edited by admin on Sat Dec 16 11:56:50 GMT 2023

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FDA UNII

AF7PP7CPM4

Created by admin on Sat Dec 16 11:56:50 GMT 2023 , Edited by admin on Sat Dec 16 11:56:50 GMT 2023

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EPA CompTox

DTXSID70172041

Created by admin on Sat Dec 16 11:56:50 GMT 2023 , Edited by admin on Sat Dec 16 11:56:50 GMT 2023

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