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Substance Name: 2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)-
RN: 84609-13-2
InChIKey: GQVPPABCGANXCD-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-O5

Molecular Weight

  • 220.1792
 
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Names and Synonyms

Synonyms

  • (E)-4-(1,3-Benzodioxol-5-yl)-4-oxo-2-butenoic acid
  • (E)-4-(3,4-Methylenedioxyphenyl)-4-oxo-2-butenoique acide
  • (E)-4-(3,4-Methylenedioxyphenyl)-4-oxo-2-butenoique acide [French]

Systematic Name

  • 2-Butenoic acid, 4-(1,3-benzodioxol-5-yl)-4-oxo-, (E)-

Registry Numbers

CAS Registry Number

  • 84609-13-2

System Generated Number

  • 0084609132

Structure Descriptors

InChI

1S/C11H8O5/c12-8(2-4-11(13)14)7-1-3-9-10(5-7)16-6-15-9/h1-5H,6H2,(H,13,14)/b4-2+

InChIKey

GQVPPABCGANXCD-DUXPYHPUSA-N

Smiles

c1cc2c(cc1C(=O)/C=C/C(=O)O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   French Demande Patent Document. Vol. #2504006,