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Substance Name: 4-Acetylbenzoic acid
RN: 586-89-0
InChIKey: QBHDSQZASIBAAI-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O3

Molecular Weight

  • 164.159
 
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Names and Synonyms

Name of Substance

  • 4-Acetylbenzoic acid

Synonym

  • EINECS 209-588-5

Systematic Name

  • 4-Acetylbenzoic acid

Registry Numbers

CAS Registry Number

  • 586-89-0

System Generated Number

  • 0000586890

Structure Descriptors

InChI

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

InChIKey

QBHDSQZASIBAAI-UHFFFAOYSA-N

Smiles

c1(C(C)=O)ccc(C(O)=O)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 208 deg C   EXP
pKa Dissociation Constant 3.7 (none) 25 EXP
log P (octanol-water) 1.61 (none)   EXP
Water Solubility 2760 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.