ChemSpider 2D Image | 3,7-Dihydroxy-2-{3-hydroxy-4-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C16H9D3O6

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

  • Molecular FormulaC16H9D3O6
  • Average mass303.281 Da
  • Monoisotopic mass303.082214 Da
  • ChemSpider ID107433966

  • Non-standard isotope - Non-standard isotope

More details:

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

3,7-Dihydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
3,7-Dihydroxy-2-{3-hydroxy-4-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
3,7-Dihydroxy-2-{3-hydroxy-4-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-[3-hydroxy-4-(methyl-d3-oxy)phenyl]- [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: 562.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 214.5±23.6 °C
Index of Refraction: 1.710
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.19
ACD/KOC (pH 5.5): 394.51
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 7.42
ACD/KOC (pH 7.4): 96.92
Polar Surface Area: 96 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 195.1±3.0 cm3

Click to predict properties on the Chemicalize site


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