ChemSpider 2D Image | 5-Methyl-2-(~2~H_5_)phenyl-2,4-dihydro-3H-pyrazol-3-one | C10H5D5N2O

5-Methyl-2-(2H5)phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC10H5D5N2O
  • Average mass179.230 Da
  • Monoisotopic mass179.110703 Da
  • ChemSpider ID103835523
  • Non-standard isotope - Non-standard isotope


More details:






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

3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(phenyl-d5)- [ACD/Index Name]
5-Methyl-2-(2H5)phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
5-Methyl-2-(2H5)phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Méthyl-2-(2H5)phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
1228765-67-0 [RN]
Edaravone D5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 333.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 155.2±19.3 °C
Index of Refraction: 1.606
Molar Refractivity: 51.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.36
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 97.52
Polar Surface Area: 33 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 148.4±7.0 cm3

Click to predict properties on the Chemicalize site






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