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Substance Name: Benzoic acid, 4-(acetyloxy)-3-methoxy-
RN: 10543-12-1
InChIKey: WTPDKEAYVAXNRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O5

Molecular Weight

  • 210.184
 
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Names and Synonyms

Synonyms

  • 3-10-00-01407 (Beilstein Handbook Reference)
  • 3-Methoxy-4-acetoxybenzoic acid
  • 4-(Acetyloxy)-3-methoxybenzoic acid
  • AI3-36785
  • BRN 2121929
  • EINECS 234-122-2

Systematic Names

  • 4-Acetoxy-3-methoxybenzoic acid
  • Benzoic acid, 4-(acetyloxy)-3-methoxy-

Registry Numbers

CAS Registry Number

  • 10543-12-1

System Generated Number

  • 0010543121

Structure Descriptors

InChI

1S/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)

InChIKey

WTPDKEAYVAXNRO-UHFFFAOYSA-N

Smiles

C(=O)(Oc1ccc(cc1OC)C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.