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Substance Name: Isovanillic acid
RN: 645-08-9
UNII: A8D1DUX2PR
InChIKey: LBKFGYZQBSGRHY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.1472
 
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Names and Synonyms

Name of Substance

  • Isovanillic acid

Synonyms

  • 3-Hydroxy-4-methoxybenzoic acid
  • 3-Hydroxyanisic acid
  • 4-10-00-01460 (Beilstein Handbook Reference)
  • Acide isovanillique
  • Benzoic acid, 3-hydroxy-4-methoxy-
  • BRN 2208365
  • EINECS 211-430-5
  • Isovanillic acid
  • UNII-A8D1DUX2PR

Systematic Names

  • 3-Hydroxy-p-anisic acid
  • p-Anisic acid, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 645-08-9

FDA UNII

  • A8D1DUX2PR

System Generated Number

  • 0000645089

Structure Descriptors

InChI

1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

InChIKey

LBKFGYZQBSGRHY-UHFFFAOYSA-N

Smiles

COc1ccc(cc1O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 2974mg/kg (2974mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956.