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Substance Name: 2H-1-Benzopyran, 3-acetyl-
RN: 51593-70-5
InChIKey: SPWAIRGUACCVAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-O2

Molecular Weight

  • 174.198
 
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Names and Synonyms

Synonyms

  • 1-(2H-1-Benzopyran-3-yl)ethanone
  • 2H-1-Benzopyran-3-yl methyl ketone
  • 5-17-10-00185 (Beilstein Handbook Reference)
  • BRN 1682021
  • Ketone, 2H-1-benzopyran-3-yl methyl

Systematic Names

  • 2H-1-Benzopyran, 3-acetyl-
  • Ethanone, 1-(2H-1-benzopyran-3-yl)- (9CI)

Registry Numbers

CAS Registry Number

  • 51593-70-5

System Generated Number

  • 0051593705

Structure Descriptors

InChI

1S/C11H10O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-6H,7H2,1H3

InChIKey

SPWAIRGUACCVAD-UHFFFAOYSA-N

Smiles

c12c(OCC(=C1)C(C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 81, 1976.