ChemSpider 2D Image | 3,4,8-Trihydroxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one | C15H12O6

3,4,8-Trihydroxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one

  • Molecular FormulaC15H12O6
  • Average mass288.252 Da
  • Monoisotopic mass288.063385 Da
  • ChemSpider ID40256761

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,4,8-trihydroxy-1,6-dimethyl- [ACD/Index Name]
1820566-03-7 [RN]
3,4,8-Trihydroxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-on [German] [ACD/IUPAC Name]
3,4,8-Trihydroxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one [ACD/IUPAC Name]
3,4,8-Trihydroxy-1,6-diméthyl-11H-dibenzo[b,e][1,4]dioxépin-11-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 227.4±23.6 °C
Index of Refraction: 1.687
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.23
ACD/KOC (pH 5.5): 548.45
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 30.25
ACD/KOC (pH 7.4): 351.32
Polar Surface Area: 96 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 190.2±3.0 cm3

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