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Substance Name: Acetonitrile, (3-oxo-5-phenyl-2(3H)-furanylidene)-
RN: 97180-85-3
InChIKey: JHTDFPZAJFDFPJ-IZZDOVSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H7-N-O2

Molecular Weight

  • 197.1923
 
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Names and Synonyms

Synonyms

  • (3-Oxo-5-phenyl-2(3H)-furanylidene)acetonitrile
  • BRN 4310547

Systematic Name

  • Acetonitrile, (3-oxo-5-phenyl-2(3H)-furanylidene)-

Registry Numbers

CAS Registry Number

  • 97180-85-3

System Generated Number

  • 0097180853

Structure Descriptors

InChI

1S/C12H7NO2/c13-7-6-11-10(14)8-12(15-11)9-4-2-1-3-5-9/h1-6,8H/b11-6+

InChIKey

JHTDFPZAJFDFPJ-IZZDOVSWSA-N

Smiles

C(\C=C1\OC(=CC1=O)c1ccccc1)#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.