ChemSpider 2D Image | (3R)-3-Hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione | C16H16O6

(3R)-3-Hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID23311572

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5,10-dion [German] [ACD/IUPAC Name]
(3R)-3-Hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione [ACD/IUPAC Name]
(3R)-3-Hydroxy-7,9-diméthoxy-3-méthyl-3,4-dihydro-1H-benzo[g]isochromène-5,10-dione [French] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-5,10-dione, 3,4-dihydro-3-hydroxy-7,9-dimethoxy-3-methyl-, (3R)- [ACD/Index Name]
herbarin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 206.8±23.6 °C
Index of Refraction: 1.606
Molar Refractivity: 75.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.68
ACD/KOC (pH 5.5): 226.35
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.68
ACD/KOC (pH 7.4): 226.34
Polar Surface Area: 82 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 218.6±5.0 cm3

Click to predict properties on the Chemicalize site


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