Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 7-methyl-4-oxo-, ethyl ester
RN: 33543-95-2
InChIKey: DTYYWXDWSQOSNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O4

Molecular Weight

  • 232.234
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-18-08-00340 (Beilstein Handbook Reference)
  • BRN 1377672
  • Ethyl 7-methyl-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 7-methyl-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 33543-95-2

System Generated Number

  • 0033543952

Structure Descriptors

InChI

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

InChIKey

DTYYWXDWSQOSNT-UHFFFAOYSA-N

Smiles

c1(cc(c2c(o1)cc(cc2)C)=O)C(=O)OCC

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.