ChemSpider 2D Image | 6,8-Dihydroxy-3-methoxy-3,7-dimethyl-1H-isochromene-1,4(3H)-dione | C12H12O6

6,8-Dihydroxy-3-methoxy-3,7-dimethyl-1H-isochromene-1,4(3H)-dione

  • Molecular FormulaC12H12O6
  • Average mass252.220 Da
  • Monoisotopic mass252.063385 Da
  • ChemSpider ID35516991

More details:

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

1H-2-Benzopyran-1,4(3H)-dione, 6,8-dihydroxy-3-methoxy-3,7-dimethyl- [ACD/Index Name]
6,8-Dihydroxy-3-methoxy-3,7-dimethyl-1H-isochromen-1,4(3H)-dion [German] [ACD/IUPAC Name]
6,8-Dihydroxy-3-methoxy-3,7-dimethyl-1H-isochromene-1,4(3H)-dione [ACD/IUPAC Name]
6,8-Dihydroxy-3-méthoxy-3,7-diméthyl-1H-isochromène-1,4(3H)-dione [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: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 212.5±23.6 °C
Index of Refraction: 1.614
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.39
ACD/KOC (pH 5.5): 296.41
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 52.30
Polar Surface Area: 93 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 170.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement