Ethyl 3-(cyanomethyl)benzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 3-(cyanomethyl)benzoate

Structure Search

SMILES

CCOC(=O)C1=CC(CC#N)=CC=C1

InChI

InChIKey=QGWJUDWWDUECLY-UHFFFAOYSA-N

InChI=1S/C11H11NO2/c1-2-14-11(13)10-5-3-4-9(8-10)6-7-12/h3-5,8H,2,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H11NO2
Molecular Weight	189.2105
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 17:52:31 GMT 2025` Edited by `admin` on `Tue Apr 01 17:52:31 GMT 2025`
Record UNII	TP49EHG45F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Ethyl 3-(cyanomethyl)benzoate

Systematic Name

English

Ethyl 3-(cyanomethyl)-benzoate

Preferred Name

English

Ethyl 3-cyanomethylbenzoate

Systematic Name

English

Benzoic acid, 3-(cyanomethyl)-, ethyl ester

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90157830

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

PRIMARY

FDA UNII

TP49EHG45F

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

PRIMARY

PUBCHEM

83311

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

PRIMARY

CAS

13288-86-3

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

PRIMARY

ECHA (EC/EINECS)

236-302-6

Created by admin on Tue Apr 01 17:52:31 GMT 2025 , Edited by admin on Tue Apr 01 17:52:31 GMT 2025

PRIMARY