ChemSpider 2D Image | Thunberginol E | C16H14O6

Thunberginol E

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID57448109

More details:






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

1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
6,8-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6,8-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
6,8-Dihydroxy-3-(3-hydroxy-4-méthoxyphényl)-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
Thunberginol E [Wiki]
147517-08-6 [RN]
6,8-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 229.5±25.0 °C
Index of Refraction: 1.665
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.91
ACD/KOC (pH 5.5): 627.51
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 45.97
ACD/KOC (pH 7.4): 506.86
Polar Surface Area: 96 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site






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