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Substance Name: Guaiacoxyacetic acid
RN: 1878-85-9
UNII: 7XVZ1X365A
InChIKey: IHONYPFTXGQWAX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • Guaiacoxyacetic acid

Synonyms

  • (2-Methoxyphenoxy)acetic acid
  • (o-Methoxyphenoxy)acetic acid
  • 3-06-00-04234 (Beilstein Handbook Reference)
  • Acide o-methoxyphenoxyacetique
  • Acide o-methoxyphenoxyacetique [French]
  • AI3-10575
  • BRN 1874501
  • EINECS 217-526-3
  • NSC 5165
  • UNII-7XVZ1X365A

Systematic Names

  • (2-Methoxyphenoxy)acetic acid
  • Acetic acid, (2-methoxyphenoxy)-
  • Acetic acid, (o-methoxyphenoxy)-

Registry Numbers

CAS Registry Number

  • 1878-85-9

FDA UNII

  • 7XVZ1X365A

System Generated Number

  • 0001878859

Structure Descriptors

InChI

1S/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

IHONYPFTXGQWAX-UHFFFAOYSA-N

Smiles

c1(c(cccc1)OC)OCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 386mg/kg (386mg/kg)   Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.23 (none) 25 EXP
log P (octanol-water) 0.98 (none)   EXP
Water Solubility 1.94E+04 mg/L 25 EST
Vapor Pressure 2.12E-04 mm Hg 25 EST
Henry's Law Constant 9.93E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.