ChemSpider 2D Image | 3,5,7-Trihydroxy-2-{4-hydroxy-3-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C16H9D3O7

3,5,7-Trihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-one

  • Molecular FormulaC16H9D3O7
  • Average mass319.281 Da
  • Monoisotopic mass319.077118 Da
  • ChemSpider ID58794414

  • Non-standard isotope - Non-standard isotope

More details:

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

3,5,7-Trihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
3,5,7-Trihydroxy-2-{4-hydroxy-3-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-hydroxy-3-(methyl-d3-oxy)phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 227.8±23.6 °C
Index of Refraction: 1.741
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 19.64
ACD/KOC (pH 5.5): 278.99
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.15
Polar Surface Area: 116 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 88.3±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


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