ChemSpider 2D Image | 7-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-3-hydroxy-3-methyl-3,4-dihydro-2,5-oxepinedione | C15H14O6

7-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-3-hydroxy-3-methyl-3,4-dihydro-2,5-oxepinedione

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID28288795

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

2,5-Oxepindione, 7-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydro-3-hydroxy-3-methyl- [ACD/Index Name]
7-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-3-hydroxy-3-methyl-3,4-dihydro-2,5-oxepindion [German] [ACD/IUPAC Name]
7-[(E)-2-(3,4-Dihydroxyphenyl)vinyl]-3-hydroxy-3-methyl-3,4-dihydro-2,5-oxepinedione [ACD/IUPAC Name]
7-[(E)-2-(3,4-Dihydroxyphényl)vinyl]-3-hydroxy-3-méthyl-3,4-dihydro-2,5-oxépinedione [French] [ACD/IUPAC Name]
inonotusin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 216.9±23.6 °C
Index of Refraction: 1.737
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.45
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 42.01
Polar Surface Area: 104 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 87.4±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

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