ChemSpider 2D Image | 3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-6-methoxy-4H-chromen-4-one | C17H16O9

3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-6-methoxy-4H-chromen-4-one

  • Molecular FormulaC17H16O9
  • Average mass364.303 Da
  • Monoisotopic mass364.079437 Da
  • ChemSpider ID74852348

More details:

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

3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-6-methoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-6-methoxy-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-(1-hydroxy-3-méthoxy-4-oxo-2-cyclohexén-1-yl)-6-méthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxo-2-cyclohexen-1-yl)-6-methoxy- [ACD/Index Name]
3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-6-methoxy-4H-chromen-4-one
3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohex-2-en-1-yl)-6-methoxychromen-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: 1.7±0.1 g/cm3
Boiling Point: 703.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 260.4±26.4 °C
Index of Refraction: 1.694
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 40.87
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.99
Polar Surface Area: 143 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 219.5±5.0 cm3

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