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Substance Name: 3-Methoxyphenylacetic acid
RN: 1798-09-0
UNII: 25XLO0T6MY
InChIKey: LEGPZHPSIPPYIO-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • 3-Methoxyphenylacetic acid

Synonyms

  • (3-Methoxyphenyl)acetic acid
  • 3-Methoxybenzeneacetic acid
  • 4-10-00-00541 (Beilstein Handbook Reference)
  • BRN 2614004
  • EINECS 217-282-8
  • m-Methoxyphenylacetic acid
  • UNII-25XLO0T6MY

Systematic Names

  • 3-Methoxybenzeneacetic acid
  • 3-Methoxyphenylacetic acid
  • Acetic acid, (m-methoxyphenyl)-
  • Benzeneacetic acid, 3-methoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 1798-09-0

FDA UNII

  • 25XLO0T6MY

System Generated Number

  • 0001798090

Structure Descriptors

InChI

1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

LEGPZHPSIPPYIO-UHFFFAOYSA-N

Smiles

COc1cccc(CC(=O)O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04363,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 71-73 deg C   EXP
log P (octanol-water) 1.5 (none)   EXP
Water Solubility 8330 mg/L 25 EST
Vapor Pressure 5.34E-04 mm Hg 25 EST
Henry's Law Constant 2.62E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.77E-11 cm3/molecule-sec 25 EST

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