ChemSpider 2D Image | 3-[Bis(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]-4H-chromen-4-one | C22H16O8

3-[Bis(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]-4H-chromen-4-one

  • Molecular FormulaC22H16O8
  • Average mass408.358 Da
  • Monoisotopic mass408.084503 Da
  • ChemSpider ID31113259

More details:

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

3-[Bis(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[Bis(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]-4H-chromen-4-one [ACD/IUPAC Name]
3-[Bis(4-hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)méthyl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[bis(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.696
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 76.1±3.0 dyne/cm
Molar Volume: 262.4±3.0 cm3

Click to predict properties on the Chemicalize site


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