ChemSpider 2D Image | (1S)-1,7-Dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromene-4,6-dione | C16H14O7

(1S)-1,7-Dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromene-4,6-dione

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID40256868

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1,7-Dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromen-4,6-dion [German] [ACD/IUPAC Name]
(1S)-1,7-Dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromene-4,6-dione [ACD/IUPAC Name]
(1S)-1,7-Dihydroxy-3,9-diméthoxy-1-méthyl-1H-benzo[c]chromène-4,6-dione [French] [ACD/IUPAC Name]
1H-Dibenzo[b,d]pyran-4,6-dione, 1,7-dihydroxy-3,9-dimethoxy-1-methyl-, (1S)- [ACD/Index 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: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 242.4±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 35.73
ACD/KOC (pH 5.5): 432.88
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 3.26
ACD/KOC (pH 7.4): 39.52
Polar Surface Area: 102 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 209.1±5.0 cm3

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