ETHYL 3,5-DIMETHYLBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL 3,5-DIMETHYLBENZOATE

Structure Search

SMILES

CCOC(=O)C1=CC(C)=CC(C)=C1

InChI

InChIKey=IHAAVLXHNOZMBC-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-4-13-11(12)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
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 12:41:05 GMT 2023` Edited by `admin` on `Sat Dec 16 12:41:05 GMT 2023`
Record UNII	JRU6AP4TDJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ETHYL 3,5-DIMETHYLBENZOATE

Systematic Name

English

3,5-DIMETHYLBENZOIC ACID ETHYL ESTER

Systematic Name

English

BENZOIC ACID, 3,5-DIMETHYL-, ETHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

88834

Created by admin on Sat Dec 16 12:41:05 GMT 2023 , Edited by admin on Sat Dec 16 12:41:05 GMT 2023

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CAS

21239-29-2

Created by admin on Sat Dec 16 12:41:05 GMT 2023 , Edited by admin on Sat Dec 16 12:41:05 GMT 2023

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FDA UNII

JRU6AP4TDJ

Created by admin on Sat Dec 16 12:41:05 GMT 2023 , Edited by admin on Sat Dec 16 12:41:05 GMT 2023

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ECHA (EC/EINECS)

244-286-7

Created by admin on Sat Dec 16 12:41:05 GMT 2023 , Edited by admin on Sat Dec 16 12:41:05 GMT 2023

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EPA CompTox

DTXSID80175482

Created by admin on Sat Dec 16 12:41:05 GMT 2023 , Edited by admin on Sat Dec 16 12:41:05 GMT 2023

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