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Substance Name: 3'-Hydroxyacetophenone
RN: 121-71-1
UNII: UV3GO1D90J
InChIKey: LUJMEECXHPYQOF-UHFFFAOYSA-N

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.149
 
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Names and Synonyms

Name of Substance

  • 3'-Hydroxyacetophenone

Synonyms

  • 1-(3-Hydroxyphenyl)ethan-1-one
  • 3'-Hydroxyacetophenone
  • 3-Acetylphenol
  • AI3-14650
  • EINECS 204-494-0
  • m-Acetylphenol
  • m-Hydroxyacetophenone
  • NSC 2440
  • UNII-UV3GO1D90J

Systematic Names

  • 3'-Hydroxyacetophenone
  • Acetophenone, 3'-hydroxy- (8CI)
  • Ethanone, 1-(3-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 121-71-1

FDA UNII

  • UV3GO1D90J

System Generated Number

  • 0000121711

Structure Descriptors

InChI

1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

InChIKey

LUJMEECXHPYQOF-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)O)C(C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 96 deg C   EXP
Boiling Point 296 deg C   EXP
pKa Dissociation Constant 9.25 (none) 25 EXP
log P (octanol-water) 1.39 (none)   EXP
Water Solubility 2.15E+04 mg/L 25 EST
Vapor Pressure 7.48E-03 mm Hg 25 EST
Henry's Law Constant 1.02E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-11 cm3/molecule-sec 25 EST

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