ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-4H-chromen-4-one | C17H14O9

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

  • Molecular FormulaC17H14O9
  • Average mass362.288 Da
  • Monoisotopic mass362.063782 Da
  • ChemSpider ID74852532

More details:

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

2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-3,5,6,7,8-pentahydroxy-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-3,5,6,7,8-pentahydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentahydroxy- [ACD/Index Name]
2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentahydroxychromen-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: 694.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 258.0±25.0 °C
Index of Refraction: 1.735
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.69
ACD/KOC (pH 5.5): 155.55
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.25
Polar Surface Area: 146 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 216.0±3.0 cm3

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