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Substance Name: Pyruvic acid, cyanophenyl-, ethyl ester
RN: 6362-63-6
InChIKey: YWNRATDDUSMBPR-UHFFFAOYSA-N

Molecular Formula

  • C12-H11-N-O3

Molecular Weight

  • 217.223
 
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Names and Synonyms

Synonyms

  • 4-10-00-03440 (Beilstein Handbook Reference)
  • AI3-15927
  • BRN 0613921
  • Cyanophenylpyruvic acid ethyl ester
  • EINECS 228-844-7
  • Ethyl 3-cyano-3-phenylpyruvate
  • Ethyl alpha-cyanophenylpyruvate
  • Ethyl phenylcyanopyruvate
  • NSC 31650

Systematic Names

  • Benzenepropanoic acid, beta-cyano-alpha-oxo-, ethyl ester (9CI)
  • Ethyl 3-cyano-3-phenylpyruvate
  • Pyruvic acid, cyanophenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 6362-63-6

System Generated Number

  • 0006362636

Structure Descriptors

InChI

1S/C12H11NO3/c1-2-16-12(15)11(14)10(8-13)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3

InChIKey

YWNRATDDUSMBPR-UHFFFAOYSA-N

Smiles

c1([C@@H](C(C(OCC)=O)=O)C#N)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 49, 1952.