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Substance Name: Benzenepropanoic acid, 2-(acetyloxy)- (9CI)
RN: 17123-74-9
InChIKey: HWHJTMNRGPJBSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-O4

Molecular Weight

  • 208.212
 
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Names and Synonyms

Synonyms

  • 2-(Acetyloxy)benzenepropanoic acid
  • Acetylmelilotic acid
  • Acide acetyl-melilotique
  • Acide acetyl-melilotique [French]
  • Acide acetyl-o-hydroxyphenyl-3-propionique
  • Acide acetyl-o-hydroxyphenyl-3-propionique [French]
  • BRN 2649964
  • o-Hydroxyhydrocinnamic acid acetate

Systematic Names

  • Benzenepropanoic acid, 2-(acetyloxy)- (9CI)
  • Hydrocinnamic acid, o-hydroxy-, acetate

Registry Numbers

CAS Registry Number

  • 17123-74-9

System Generated Number

  • 0017123749

Structure Descriptors

InChI

1S/C11H12O4/c1-8(12)15-11(14)7-6-9-4-2-3-5-10(9)13/h2-5,13H,6-7H2,1H3

InChIKey

HWHJTMNRGPJBSF-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)CCC(OC(C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1540mg/kg (1540mg/kg)   French Demande Patent Document. Vol. #2473039,