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Substance Name: Benzoic acid, 2-phenylacetyl-
RN: 33148-55-9
InChIKey: NJXDTGLUPRKMFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-O3

Molecular Weight

  • 240.257
 
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Names and Synonyms

Synonyms

  • 2-Phenylacetophonone-o-carboxylic acid
  • 2-Phenylacetylbenzoic acid
  • 4-10-00-02987 (Beilstein Handbook Reference)
  • Acide (phenacetyl)-2 benzoique
  • Acide (phenacetyl)-2 benzoique [French]
  • BRN 2374544
  • Desoxybenzoin-2-carboxylic acid
  • F 1244
  • NSC 401494
  • o-(Phenylacetyl)benzoic acid

Systematic Names

  • Benzoic acid, 2-phenylacetyl-
  • Benzoic acid, o-(phenylacetyl)- (8CI)

Registry Numbers

CAS Registry Number

  • 33148-55-9

System Generated Number

  • 0033148559

Structure Descriptors

InChI

1S/C15H12O3/c16-14(10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(17)18/h1-9H,10H2,(H,17,18)

InChIKey

NJXDTGLUPRKMFN-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)C(Cc1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 397, 1974.