ChemSpider 2D Image | 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoate | C15H17O3


  • Molecular FormulaC15H17O3
  • Average mass245.294 Da
  • Monoisotopic mass245.118317 Da
  • ChemSpider ID25026331
  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoat [German] [ACD/IUPAC Name]
2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoate [ACD/IUPAC Name]
2-{4-[(2-Oxocyclopentyl)méthyl]phényl}propanoate [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-, ion(1-) [ACD/Index Name]
loxoprofen anion
  • Miscellaneous
    • Chemical Class:

      An oxo monocarboxylic acid anion that is the conjugate base of loxoprofen, obtained by deprotonation of the carboxy group. ChEBI CHEBI:76199

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 417.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 220.7±18.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 38.39
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 57 Å2
Surface Tension:
Molar Volume:

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