ChemSpider 2D Image | 7-Ethynyl-3-methyl-4-phenyl-2H-chromen-2-one | C18H12O2

7-Ethynyl-3-methyl-4-phenyl-2H-chromen-2-one

  • Molecular FormulaC18H12O2
  • Average mass260.287 Da
  • Monoisotopic mass260.083740 Da
  • ChemSpider ID30651924

More details:






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

2H-1-Benzopyran-2-one, 7-ethynyl-3-methyl-4-phenyl- [ACD/Index Name]
7-Ethinyl-3-methyl-4-phenyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-Ethynyl-3-methyl-4-phenyl-2H-chromen-2-one [ACD/IUPAC Name]
7-Éthynyl-3-méthyl-4-phényl-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 424.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 179.2±26.1 °C
Index of Refraction: 1.647
Molar Refractivity: 76.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1174.72
ACD/KOC (pH 5.5): 5483.49
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1174.72
ACD/KOC (pH 7.4): 5483.49
Polar Surface Area: 26 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site






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