ChemSpider 2D Image | 4,6,8-Trihydroxy-3-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one | C12H14O6

4,6,8-Trihydroxy-3-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC12H14O6
  • Average mass254.236 Da
  • Monoisotopic mass254.079041 Da
  • ChemSpider ID35516990

More details:

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

1H-2-Benzopyran-1-one, 3,4-dihydro-4,6,8-trihydroxy-3-methoxy-3,7-dimethyl- [ACD/Index Name]
4,6,8-Trihydroxy-3-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
4,6,8-Trihydroxy-3-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
4,6,8-Trihydroxy-3-méthoxy-3,7-diméthyl-3,4-dihydro-1H-isochromén-1-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: 527.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 207.8±23.6 °C
Index of Refraction: 1.627
Molar Refractivity: 60.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.61
ACD/KOC (pH 5.5): 103.88
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 88.64
Polar Surface Area: 96 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 171.2±5.0 cm3

Click to predict properties on the Chemicalize site


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