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Substance Name: 2-Butenoic acid, 4-(4-fluorophenyl)-4-oxo-, (E)-
RN: 35504-85-9
InChIKey: CMSWGWOQRTZZAS-AATRIKPKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-F-O3

Molecular Weight

  • 194.16
 
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Names and Synonyms

Synonyms

  • (E)-4-(4-Fluorophenyl)-4-oxo-2-butenoic acid
  • Acide (E)4-(4-fluorophenyl)-4-oxo 2-butenique
  • Acide (E)4-(4-fluorophenyl)-4-oxo 2-butenique [French]

Systematic Name

  • 2-Butenoic acid, 4-(4-fluorophenyl)-4-oxo-, (E)-

Registry Numbers

CAS Registry Number

  • 35504-85-9

System Generated Number

  • 0035504859

Structure Descriptors

InChI

1S/C10H7FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-6H,(H,13,14)/b6-5+

InChIKey

CMSWGWOQRTZZAS-AATRIKPKSA-N

Smiles

c1(C(\C=C\C(O)=O)=O)ccc(F)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   French Demande Patent Document. Vol. #2481118,