ChemSpider 2D Image | 2-Methyl-2-propanyl 6-benzoyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate | C21H18O6

2-Methyl-2-propanyl 6-benzoyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate

  • Molecular FormulaC21H18O6
  • Average mass366.364 Da
  • Monoisotopic mass366.110352 Da
  • ChemSpider ID24740171

More details:

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

2H-1-Benzopyran-4-carboxylic acid, 6-benzoyl-5-hydroxy-2-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-benzoyl-5-hydroxy-2-oxo-2H-chromene-4-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-benzoyl-5-hydroxy-2-oxo-2H-chromen-4-carboxylat [German] [ACD/IUPAC Name]
6-Benzoyl-5-hydroxy-2-oxo-2H-chromène-4-carboxylate de 2-méthyl-2-propanyle [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: 540.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 191.1±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 260.71
ACD/KOC (pH 5.5): 1106.01
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.04
ACD/KOC (pH 7.4): 21.36
Polar Surface Area: 90 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 278.8±3.0 cm3

Click to predict properties on the Chemicalize site


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