ChemSpider 2D Image | 3,6,9-Trihydroxy-7-methoxy-3-methyl-3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene-5,10-dione | C15H16O7

3,6,9-Trihydroxy-7-methoxy-3-methyl-3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene-5,10-dione

  • Molecular FormulaC15H16O7
  • Average mass308.283 Da
  • Monoisotopic mass308.089600 Da
  • ChemSpider ID26502629

More details:

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

1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4,4a,10a-tetrahydro-3,6,9-trihydroxy-7-methoxy-3-methyl- [ACD/Index Name]
3,6,9-Trihydroxy-7-methoxy-3-methyl-3,4,4a,10a-tetrahydro-1H-benzo[g]isochromen-5,10-dion [German] [ACD/IUPAC Name]
3,6,9-Trihydroxy-7-methoxy-3-methyl-3,4,4a,10a-tetrahydro-1H-benzo[g]isochromene-5,10-dione [ACD/IUPAC Name]
3,6,9-Trihydroxy-7-méthoxy-3-méthyl-3,4,4a,10a-tétrahydro-1H-benzo[g]isochromène-5,10-dione [French] [ACD/IUPAC Name]
68277-68-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 233.0±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.13
ACD/KOC (pH 5.5): 476.30
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 11.54
ACD/KOC (pH 7.4): 140.45
Polar Surface Area: 113 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 208.5±3.0 cm3

Click to predict properties on the Chemicalize site


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