ChemSpider 2D Image | 4-Hydroxy-5-(~2~H)hydroxy-2-(3-hydroxy-4-methoxyphenyl)(3,6-~2~H_2_)-7H-chromen-7-one | C16H9D3O6

4-Hydroxy-5-(2H)hydroxy-2-(3-hydroxy-4-methoxyphenyl)(3,6-2H2)-7H-chromen-7-one

  • Molecular FormulaC16H9D3O6
  • Average mass303.281 Da
  • Monoisotopic mass303.082214 Da
  • ChemSpider ID115041970

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Hydroxy-5-(2H)hydroxy-2-(3-hydroxy-4-methoxyphenyl)(3,6-2H2)-7H-chromen-7-on [German] [ACD/IUPAC Name]
4-Hydroxy-5-(2H)hydroxy-2-(3-hydroxy-4-methoxyphenyl)(3,6-2H2)-7H-chromen-7-one [ACD/IUPAC Name]
4-Hydroxy-5-(2H)hydroxy-2-(3-hydroxy-4-méthoxyphényl)(3,6-2H2)-7H-chromén-7-one [French] [ACD/IUPAC Name]
7H-1-Benzopyran-7-one-3,6-d2, 4-hydroxy-5-(hydroxy-d)-2-(3-hydroxy-4-methoxyphenyl)- [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: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 240.3±25.0 °C
Index of Refraction: 1.728
Molar Refractivity: 75.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 189.9±5.0 cm3

Click to predict properties on the Chemicalize site


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