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Substance Name: Acetic acid, (3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester
RN: 97180-95-5
InChIKey: BNDXBUTZZWDWHM-XYOKQWHBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O4

Molecular Weight

  • 230.218
 
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Names and Synonyms

Synonym

  • Methyl (3-oxo-5-phenyl-2(3H)-furanylidene)acetate

Systematic Name

  • Acetic acid, (3-oxo-5-phenyl-2(3H)-furanylidene)-, methyl ester

Registry Numbers

CAS Registry Number

  • 97180-95-5

System Generated Number

  • 0097180955

Structure Descriptors

InChI

1S/C13H10O4/c1-16-13(15)8-12-10(14)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3/b12-8+

InChIKey

BNDXBUTZZWDWHM-XYOKQWHBSA-N

Smiles

C(\C=C1\OC(=CC1=O)c1ccccc1)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 891, 1991.