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Substance Name: 2-Acetylbenzoic acid
RN: 577-56-0
InChIKey: QDAWXRKTSATEOP-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O3

Molecular Weight

  • 164.159
 
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Names and Synonyms

Synonyms

  • AI3-22133
  • EINECS 209-413-2

Systematic Names

  • 2-Acetylbenzoic acid
  • Benzoic acid, 2-acetyl-

Registry Numbers

CAS Registry Number

  • 577-56-0

System Generated Number

  • 0000577560

Structure Descriptors

InChI

1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)

InChIKey

QDAWXRKTSATEOP-UHFFFAOYSA-N

Smiles

CC(=O)c1ccccc1C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 114.5 deg C   EXP
pKa Dissociation Constant 4.126 (none) 25 EXP
log P (octanol-water) 0.81 (none)   EXP
Water Solubility 1.33E+04 mg/L 25 EST
Vapor Pressure 2.30E-04 mm Hg 25 EST
Henry's Law Constant 1.97E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-12 cm3/molecule-sec 25 EST

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