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Substance Name: Acetonitrile, (5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-
RN: 97180-86-4
InChIKey: VJZSSZZTSZLIMZ-WUXMJOGZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-N-O2

Molecular Weight

  • 211.2191
 
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Names and Synonyms

Synonyms

  • (5-(4-Methylphenyl)-3-oxo-2(3H)-furanylidene)acetonitrile
  • BRN 5004794

Systematic Name

  • Acetonitrile, (5-(4-methylphenyl)-3-oxo-2(3H)-furanylidene)-

Registry Numbers

CAS Registry Number

  • 97180-86-4

System Generated Number

  • 0097180864

Structure Descriptors

InChI

1S/C13H9NO2/c1-9-2-4-10(5-3-9)13-8-11(15)12(16-13)6-7-14/h2-6,8H,1H3/b12-6+

InChIKey

VJZSSZZTSZLIMZ-WUXMJOGZSA-N

Smiles

C(\C=C1\OC(=CC1=O)c1ccc(cc1)C)#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.