ChemSpider 2D Image | 4-Hydroxy-5-methyl-1-(~2~H_3_)methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C11H9D3N2O2

4-Hydroxy-5-methyl-1-(2H3)methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC11H9D3N2O2
  • Average mass207.244 Da
  • Monoisotopic mass207.108704 Da
  • ChemSpider ID107433962

  • Non-standard isotope - Non-standard isotope

More details:

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

3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-5-methyl-1-(methyl-d3)-2-phenyl- [ACD/Index Name]
4-Hydroxy-5-methyl-1-(2H3)methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-Hydroxy-5-methyl-1-(2H3)methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-Hydroxy-5-méthyl-1-(2H3)méthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 314.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 143.9±30.7 °C
Index of Refraction: 1.630
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.82
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.83
Polar Surface Area: 44 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 157.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement