ChemSpider 2D Image | 5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-3,7-dimethoxy-4H-chromen-4-one | C18H18O9

5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-3,7-dimethoxy-4H-chromen-4-one

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID74852544

More details:

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

4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-3,7-dimethoxy- [ACD/Index Name]
5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-3,7-dimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-3,7-dimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
5,8-Dihydroxy-2-(1-hydroxy-3-méthoxy-4-oxo-2-cyclohexén-1-yl)-3,7-diméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-3,7-dimethoxy-4H-chromen-4-one
5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-3,7-dimethoxychromen-4-one

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 697.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 254.7±25.0 °C
Index of Refraction: 1.650
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 66.15
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.97
Polar Surface Area: 132 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 244.4±5.0 cm3

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