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Substance Name: Benzoic acid, 3,5-diallyl-4-hydroxy-
RN: 100311-33-9
InChIKey: QIQJOLWVADYXBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-O3

Molecular Weight

  • 218.251
 
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Names and Synonyms

Synonyms

  • 3,5-Diallyl-4-hydroxybenzoic acid
  • 4-10-00-01129 (Beilstein Handbook Reference)
  • BRN 3266017

Systematic Name

  • Benzoic acid, 3,5-diallyl-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 100311-33-9

System Generated Number

  • 0100311339

Structure Descriptors

InChI

1S/C13H14O3/c1-3-5-9-7-11(13(15)16)8-10(6-4-2)12(9)14/h3-4,7-8,14H,1-2,5-6H2,(H,15,16)

InChIKey

QIQJOLWVADYXBG-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)C(O)=O)CC=C)O)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 770mg/kg (770mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.