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Substance Name: Crotonic acid, 2-cyano-3-phenyl-, ethyl ester
RN: 18300-89-5
InChIKey: AJDOTEWSLNGINB-BENRWUELSA-N

Molecular Formula

  • C13-H13-N-O2

Molecular Weight

  • 215.251
 
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Names and Synonyms

Synonyms

  • 2-Cyano-3-phenylcrotonic acid ethyl ester
  • AI3-04925
  • alpha-Cyano-beta-phenyl-methacrylic acid, ethyl ester
  • NSC 408236

Systematic Names

  • 2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester
  • Crotonic acid, 2-cyano-3-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 18300-89-5

System Generated Number

  • 0018300895

Structure Descriptors

InChI

1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10-

InChIKey

AJDOTEWSLNGINB-BENRWUELSA-N

Smiles

c1(\C(=C(/C(OCC)=O)C#N)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09334,