ChemSpider 2D Image | 5,6,7-Trihydroxy-2-[4-hydroxy(~2~H_4_)phenyl](~2~H_2_)-4H-chromen-4-one | C15H4D6O6

5,6,7-Trihydroxy-2-[4-hydroxy(2H4)phenyl](2H2)-4H-chromen-4-one

  • Molecular FormulaC15H4D6O6
  • Average mass292.273 Da
  • Monoisotopic mass292.085388 Da
  • ChemSpider ID114810379

  • Non-standard isotope - Non-standard isotope

More details:

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

4H-1-Benzopyran-4-one-3,8-d2, 5,6,7-trihydroxy-2-(4-hydroxyphenyl-2,3,5,6-d4)- [ACD/Index Name]
5,6,7-Trihydroxy-2-[4-hydroxy(2H4)phenyl](2H2)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,6,7-Trihydroxy-2-[4-hydroxy(2H4)phenyl](2H2)-4H-chromen-4-one [ACD/IUPAC Name]
5,6,7-Trihydroxy-2-[4-hydroxy(2H4)phényl](2H2)-4H-chromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 642.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 249.9±25.0 °C
Index of Refraction: 1.768
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 32.75
ACD/KOC (pH 5.5): 399.94
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 19.05
Polar Surface Area: 107 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 92.6±3.0 dyne/cm
Molar Volume: 173.0±3.0 cm3

Click to predict properties on the Chemicalize site


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