Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1-Benzopyran-2-carboxylic acid, 5-methoxy-4-oxo-, ethyl ester
RN: 5527-76-4
InChIKey: OJRFUZPONYSMKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-O5

Molecular Weight

  • 248.233
 
* 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

  • 5-18-09-00074 (Beilstein Handbook Reference)
  • BRN 1319702
  • Ethyl 5-methoxy-4-oxo-4H-1-benzopyran-2-carboxylate

Systematic Name

  • 4H-1-Benzopyran-2-carboxylic acid, 5-methoxy-4-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 5527-76-4

System Generated Number

  • 0005527764

Structure Descriptors

InChI

1S/C13H12O5/c1-3-17-13(15)11-7-8(14)12-9(16-2)5-4-6-10(12)18-11/h4-7H,3H2,1-2H3

InChIKey

OJRFUZPONYSMKF-UHFFFAOYSA-N

Smiles

c1(cc(c2c(o1)cccc2OC)=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.