Methyl 2,5-dimethylbenzoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12O2
Molecular Weight	164.2011
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 2,5-dimethylbenzoate

Structure Search

SMILES

COC(=O)C1=C(C)C=CC(C)=C1

InChI

InChIKey=YILVOENZHZWHHK-UHFFFAOYSA-N

InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H12O2
Molecular Weight	164.2011
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 18:49:12 GMT 2023` Edited by `admin` on `Sat Dec 16 18:49:12 GMT 2023`
Record UNII	KJ66P79G66
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl 2,5-dimethylbenzoate

Systematic Name

English

NSC-118435

Code

English

Benzoic acid, 2,5-dimethyl-, methyl ester

Common Name

English

2,5-Dimethylbenzoic acid methyl ester

Common Name

English

Code System Code Type Description

CAS

13730-55-7

Created by admin on Sat Dec 16 18:49:12 GMT 2023 , Edited by admin on Sat Dec 16 18:49:12 GMT 2023

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FDA UNII

KJ66P79G66

Created by admin on Sat Dec 16 18:49:12 GMT 2023 , Edited by admin on Sat Dec 16 18:49:12 GMT 2023

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PUBCHEM

273300

Created by admin on Sat Dec 16 18:49:12 GMT 2023 , Edited by admin on Sat Dec 16 18:49:12 GMT 2023

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NSC

118435

Created by admin on Sat Dec 16 18:49:12 GMT 2023 , Edited by admin on Sat Dec 16 18:49:12 GMT 2023

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EPA CompTox

DTXSID00297837

Created by admin on Sat Dec 16 18:49:12 GMT 2023 , Edited by admin on Sat Dec 16 18:49:12 GMT 2023

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