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Substance Name: 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, propyl ester
RN: 39497-12-6
InChIKey: WEIHNHDMVCFGRA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O4

Molecular Weight

  • 232.234
 
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Names and Synonyms

Synonyms

  • 2-Oxo-2H-1-benzopyran-3-carboxylic acid propyl ester
  • 4-18-00-05570 (Beilstein Handbook Reference)
  • BRN 0222573
  • Propyl coumarin-3-carboxylate

Systematic Name

  • 2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, propyl ester

Registry Numbers

CAS Registry Number

  • 39497-12-6

System Generated Number

  • 0039497126

Structure Descriptors

InChI

1S/C13H12O4/c1-2-7-16-12(14)10-8-9-5-3-4-6-11(9)17-13(10)15/h3-6,8H,2,7H2,1H3

InChIKey

WEIHNHDMVCFGRA-UHFFFAOYSA-N

Smiles

c12c(oc(=O)c(c1)C(OCCC)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 134mg/kg (134mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 75, Pg. 1486, 1955.