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Substance Name: Salicylic acid, 3-allyl-, methyl ester
RN: 31456-98-1
InChIKey: BRFCIUCUICKZFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-O3

Molecular Weight

  • 192.213
 
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Names and Synonyms

Synonyms

  • 3-10-00-00868 (Beilstein Handbook Reference)
  • 3-Allylsalicylic acid methyl ester
  • AI3-21009
  • BRN 0777684
  • Methyl 3-allylsalicylate

Systematic Names

  • Benzoic acid, 2-hydroxy-3-(2-propenyl)-, methyl ester
  • Salicylic acid, 3-allyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 31456-98-1

System Generated Number

  • 0031456981

Structure Descriptors

InChI

1S/C11H12O3/c1-3-5-8-6-4-7-9(10(8)12)11(13)14-2/h3-4,6-7,12H,1,5H2,2H3

InChIKey

BRFCIUCUICKZFD-UHFFFAOYSA-N

Smiles

C(c1c(c(ccc1)CC=C)O)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 530mg/kg (530mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 213, 1960.