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Substance Name: Benzoylacrylic acid
RN: 583-06-2
InChIKey: PLPDHGOODMBBGN-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-O3

Molecular Weight

  • 176.17
 
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Names and Synonyms

Name of Substance

  • Benzoylacrylic acid

Synonyms

  • 3-Benzoylacrylic acid
  • 4-Oxo-4-phenyl-2-butenoic acid
  • 4-Phenyl-4-oxo-2-butenoic acid
  • Acrylic acid, 3-benzoyl-
  • AI3-26616
  • Benzoylacrylic acid
  • Crotonic acid, 4-oxo-4-phenyl-
  • EINECS 209-496-5
  • NSC 143

Systematic Names

  • 2-Butenoic acid, 4-oxo-4-phenyl-
  • 3-Benzoylacrylic acid
  • Acrylic acid, 3-benzoyl- (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 583-06-2

System Generated Number

  • 0000583062

Structure Descriptors

InChI

1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+

InChIKey

PLPDHGOODMBBGN-VOTSOKGWSA-N

Smiles

C(=C\C(=O)O)\C(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg)   United States Patent Document. Vol. #4867737,