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Substance Name: 2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-
RN: 80937-23-1
InChIKey: QUWWWXPLUJFEHM-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O5

Molecular Weight

  • 236.222
 
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Names and Synonyms

Synonyms

  • (E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid
  • 3-10-00-04602 (Beilstein Handbook Reference)
  • Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique
  • Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique [French]
  • BRN 3137849
  • EINECS 279-631-0

Systematic Names

  • 2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-
  • 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid

Registry Numbers

CAS Registry Number

  • 80937-23-1

System Generated Number

  • 0080937231

Structure Descriptors

InChI

1S/C12H12O5/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-4+

InChIKey

QUWWWXPLUJFEHM-GQCTYLIASA-N

Smiles

C(\C=C\C(=O)c1cc(c(cc1)OC)OC)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   French Demande Patent Document. Vol. #2481118,