ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-2,3-dihydro-4H-chromen-4-one | C18H18O9

2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID74852531

More details:

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

2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-5,6,7,8-tétrahydroxy-3-méthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-5,6,7,8-tetrahydroxy-3-methoxy- [ACD/Index Name]
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxy-3,4-dihydro-2H-1-benzopyran-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: 1.6±0.1 g/cm3
Boiling Point: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 249.9±25.0 °C
Index of Refraction: 1.681
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.81
ACD/KOC (pH 5.5): 472.97
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 10.64
ACD/KOC (pH 7.4): 129.64
Polar Surface Area: 135 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 85.7±5.0 dyne/cm
Molar Volume: 238.7±5.0 cm3

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