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

CAS Registry Number®

13288-86-3

CAS Name

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

Molecular Formula

C11H11NO2

Molecular Mass

189.21

Cite this Page

Benzoic acid, 3-(cyanomethyl)-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13288-86-3 (retrieved 2025-01-07) (CAS RN: 13288-86-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=QGWJUDWWDUECLY-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(CC#N)=CC=C1

Canonical SMILES

N#CCC=1C=CC=C(C1)C(=O)OCC

Other Names for this Substance

  • Benzoic acid, 3-(cyanomethyl)-, ethyl ester
  • m-Toluic acid, α-cyano-, ethyl ester
  • Ethyl 3-cyanomethylbenzoate

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