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Substance Name: 4H-1-Benzopyran-2-carbonitrile, 3-methyl-4-oxo-
RN: 33544-09-1
InChIKey: VEQYFJSASLNUPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H7-N-O2

Molecular Weight

  • 185.181
 
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Names and Synonyms

Synonyms

  • 3-Methyl-4-oxo-4H-1-benzopyran-2-carbonitrile
  • 5-18-08-00338 (Beilstein Handbook Reference)
  • BRN 1369277

Systematic Name

  • 4H-1-Benzopyran-2-carbonitrile, 3-methyl-4-oxo-

Registry Numbers

CAS Registry Number

  • 33544-09-1

System Generated Number

  • 0033544091

Structure Descriptors

InChI

1S/C11H7NO2/c1-7-10(6-12)14-9-5-3-2-4-8(9)11(7)13/h2-5H,1H3

InChIKey

VEQYFJSASLNUPK-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(o1)cccc2)=O)C)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 865, 1972.