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Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo-, ethyl ester
RN: 38322-65-5
InChIKey: OUPTVBRQLKDPCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O4

Molecular Weight

  • 232.2338
 
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Names and Synonyms

Synonyms

  • 5-18-08-00339 (Beilstein Handbook Reference)
  • BRN 1379543
  • Ethyl 6-methyl-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 38322-65-5

System Generated Number

  • 0038322655

Structure Descriptors

InChI

1S/C13H12O4/c1-3-16-13(15)12-7-10(14)9-6-8(2)4-5-11(9)17-12/h4-7H,3H2,1-2H3

InChIKey

OUPTVBRQLKDPCJ-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(=O)c2cc(ccc2o1)C

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.