M-CRESYL HEXANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O2
Molecular Weight	206.2808
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of M-CRESYL HEXANOATE

Structure Search

SMILES

CCCCCC(=O)OC1=CC(C)=CC=C1

InChI

InChIKey=KFAYELJEHIGXQO-UHFFFAOYSA-N

InChI=1S/C13H18O2/c1-3-4-5-9-13(14)15-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H18O2
Molecular Weight	206.2808
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 19:27:38 GMT 2025` Edited by `admin` on `Tue Apr 01 19:27:38 GMT 2025`
Record UNII	GHC5LU9ADP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

M-CRESYL HEXANOATE

Systematic Name

English

HEXANOIC ACID, 3-METHYLPHENYL ESTER

Preferred Name

English

Code System Code Type Description

CAS

68140-55-6

Created by admin on Tue Apr 01 19:27:38 GMT 2025 , Edited by admin on Tue Apr 01 19:27:38 GMT 2025

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ECHA (EC/EINECS)

268-806-7

Created by admin on Tue Apr 01 19:27:38 GMT 2025 , Edited by admin on Tue Apr 01 19:27:38 GMT 2025

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FDA UNII

GHC5LU9ADP

Created by admin on Tue Apr 01 19:27:38 GMT 2025 , Edited by admin on Tue Apr 01 19:27:38 GMT 2025

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PUBCHEM

109621

Created by admin on Tue Apr 01 19:27:38 GMT 2025 , Edited by admin on Tue Apr 01 19:27:38 GMT 2025

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EPA CompTox

DTXSID0071172

Created by admin on Tue Apr 01 19:27:38 GMT 2025 , Edited by admin on Tue Apr 01 19:27:38 GMT 2025

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