ChemSpider 2D Image | (1S)-1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione | C15H12O7

(1S)-1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID62667214

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-6,9-dion [German] [ACD/IUPAC Name]
(1S)-1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromene-6,9-dione [ACD/IUPAC Name]
(1S)-1,5,10-Trihydroxy-7-méthoxy-3-méthyl-1H-benzo[g]isochromène-6,9-dione [French] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-6,9-dione, 1,5,10-trihydroxy-7-methoxy-3-methyl-, (1S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 242.3±25.0 °C
Index of Refraction: 1.713
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 13.23
ACD/KOC (pH 5.5): 191.13
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.54
Polar Surface Area: 113 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 183.6±5.0 cm3

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