ChemSpider 2D Image | 1-[(5S)-5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C12H14N2O2

1-[(5S)-5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC12H14N2O2
  • Average mass218.252 Da
  • Monoisotopic mass218.105530 Da
  • ChemSpider ID29360470

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(5S)-5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(5S)-5-Hydroxy-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-[(5S)-5-Hydroxy-3-méthyl-5-phényl-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(5S)-4,5-dihydro-5-hydroxy-3-methyl-5-phenyl-1H-pyrazol-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 375.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 180.8±30.7 °C
Index of Refraction: 1.591
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.42
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.41
Polar Surface Area: 53 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 182.5±7.0 cm3

Click to predict properties on the Chemicalize site


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