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Substance Name: 3-(4-Methoxybenzoyl)propionic acid
RN: 3153-44-4
InChIKey: OMTDIBZSUZNVJK-UHFFFAOYSA-N

Note

  • A selectin inhibitor.

Molecular Formula

  • C11-H12-O4

Molecular Weight

  • 208.212
 
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Names and Synonyms

Name of Substance

  • 3-(4-Methoxybenzoyl)propionic acid

Synonyms

  • AI3-07210
  • EINECS 221-593-4
  • NSC 12472

Systematic Names

  • 3-(4-Methoxybenzoyl)propionic acid
  • Benzenebutanoic acid, 4-methoxy-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 3153-44-4

System Generated Number

  • 0003153444

Structure Descriptors

InChI

1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey

OMTDIBZSUZNVJK-UHFFFAOYSA-N

Smiles

c1cc(OC)ccc1C(=O)CCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148-150 deg C   EXP
log P (octanol-water) 1.38 (none)   EXP
Water Solubility 1.80E+04 mg/L 25 EXP
Vapor Pressure 1.46E-05 mm Hg 25 EST
Henry's Law Constant 5.73E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-11 cm3/molecule-sec 25 EST

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