ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-2,3-dihydro-4H-chromen-4-one | C17H16O9

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

  • Molecular FormulaC17H16O9
  • Average mass364.303 Da
  • Monoisotopic mass364.079437 Da
  • ChemSpider ID74852533

More details:

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

2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-3,5,6,7,8-pentahydroxy-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-3,5,6,7,8-pentahydroxy- [ACD/Index Name]
2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-2,3-dihydro-1-benzopyran-4-one
2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-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: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 271.7±26.4 °C
Index of Refraction: 1.694
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.03
ACD/KOC (pH 5.5): 228.57
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.10
ACD/KOC (pH 7.4): 66.72
Polar Surface Area: 146 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

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