ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxy-4H-chromen-4-one | C18H14O9

2-(1,3-Benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxy-4H-chromen-4-one

  • Molecular FormulaC18H14O9
  • Average mass374.298 Da
  • Monoisotopic mass374.063782 Da
  • ChemSpider ID24845822

More details:

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

2-(1,3-Benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-diméthoxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-3,5,7-trihydroxy-6,8-dimethoxy- [ACD/Index Name]
Melinervin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 247.9±25.0 °C
Index of Refraction: 1.701
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.66
ACD/KOC (pH 5.5): 145.01
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.89
Polar Surface Area: 124 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 78.0±3.0 dyne/cm
Molar Volume: 230.3±3.0 cm3

Click to predict properties on the Chemicalize site


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