ChemSpider 2D Image | 2-Phenyl(5,6,7,8-~2~H_4_)-4H-chromen-4-one | C15H6D4O2

2-Phenyl(5,6,7,8-2H4)-4H-chromen-4-one

  • Molecular FormulaC15H6D4O2
  • Average mass226.263 Da
  • Monoisotopic mass226.093185 Da
  • ChemSpider ID62976068
  • Non-standard isotope - Non-standard isotope


More details:






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

2-Phenyl(5,6,7,8-2H4)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-Phenyl(5,6,7,8-2H4)-4H-chromen-4-one [ACD/IUPAC Name]
2-Phényl(5,6,7,8-2H4)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one-5,6,7,8-d4, 2-phenyl- [ACD/Index Name]
54849-74-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 367.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 171.1±21.4 °C
Index of Refraction: 1.635
Molar Refractivity: 64.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.23
ACD/KOC (pH 5.5): 1718.44
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.23
ACD/KOC (pH 7.4): 1718.44
Polar Surface Area: 26 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site






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