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Substance Name: Benzoic acid, acetylmethyl ester
RN: 6656-60-6
InChIKey: JJANSRGIKCRCFG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Synonyms

  • 1,2-Propanediol, 1-benzoate
  • 1-Benzoyloxypropan-2-one
  • 4-09-00-00453 (Beilstein Handbook Reference)
  • AI3-06579
  • Benzoic acid, acetylmethyl ester
  • BRN 1949247
  • Hydroxyacetone benzoate
  • NSC 5667

Systematic Names

  • 2-Propanone, 1-(benzoyloxy)-
  • Benzoic acid, acetylmethyl ester

Registry Numbers

CAS Registry Number

  • 6656-60-6

System Generated Number

  • 0006656606

Structure Descriptors

InChI

1S/C10H10O3/c1-8(11)7-13-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

JJANSRGIKCRCFG-UHFFFAOYSA-N

Smiles

c1(C(OCC(C)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.