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Substance Name: 4-Methoxymandelic acid
RN: 10502-44-0
InChIKey: ITECRQOOEQWFPE-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Name of Substance

  • 4-Methoxymandelic acid

Synonym

  • EINECS 234-031-8

Systematic Name

  • 4-Methoxyphenylglycolic acid

Registry Numbers

CAS Registry Number

  • 10502-44-0

System Generated Number

  • 0010502440

Structure Descriptors

InChI

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

InChIKey

ITECRQOOEQWFPE-UHFFFAOYSA-N

Smiles

c1cc(OC)ccc1[C@@H](O)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 3.42 (none) 25 EXP
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 1.25E+05 mg/L 25 EST
Vapor Pressure 1.90E-06 mm Hg 25 EST
Henry's Law Constant 4.08E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.25E-11 cm3/molecule-sec 25 EST

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