ChemSpider 2D Image | 3,3,5-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,7-dimethoxy-2,3-dihydro-4H-chromen-4-one | C18H18O9

3,3,5-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,7-dimethoxy-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID90615715

More details:

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

3,3,5-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,7-dimethoxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,3,5-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,7-dimethoxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
3,3,5-Trihydroxy-2-(4-hydroxy-3-méthoxyphényl)-2,7-diméthoxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,3,5-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,7-dimethoxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 248.0±25.0 °C
Index of Refraction: 1.680
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.58
ACD/KOC (pH 5.5): 330.53
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 79.74
Polar Surface Area: 135 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 85.1±5.0 dyne/cm
Molar Volume: 239.2±5.0 cm3

Click to predict properties on the Chemicalize site


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