ChemSpider 2D Image | 8'-O-demethylnigerone | C31H24O10

8'-O-demethylnigerone

  • Molecular FormulaC31H24O10
  • Average mass556.516 Da
  • Monoisotopic mass556.136963 Da
  • ChemSpider ID27023167

More details:



Featured data source



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

[10,10'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 5,5',8-trihydroxy-6,6',8'-trimethoxy-2,2'-dimethyl- [ACD/Index Name]
5,5',8-Trihydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-4H,4'H-10,10'-bibenzo[g]chromen-4,4'-dion [German] [ACD/IUPAC Name]
5,5',8-Trihydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-4H,4'H-10,10'-bibenzo[g]chromene-4,4'-dione [ACD/IUPAC Name]
5,5',8-Trihydroxy-6,6',8'-triméthoxy-2,2'-diméthyl-4H,4'H-10,10'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
8'-O-demethylnigerone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 268.9±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 405.59
ACD/KOC (pH 5.5): 1223.09
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 141 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 381.5±3.0 cm3

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