ChemSpider 2D Image | 2-[3,4-Dihydroxy(~2~H_3_)phenyl]-3,7-dihydroxy(6,8-~2~H_2_)-4H-chromen-4-one | C15H5D5O6

2-[3,4-Dihydroxy(2H3)phenyl]-3,7-dihydroxy(6,8-2H2)-4H-chromen-4-one

  • Molecular FormulaC15H5D5O6
  • Average mass291.267 Da
  • Monoisotopic mass291.079132 Da
  • ChemSpider ID107439815

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[3,4-Dihydroxy(2H3)phenyl]-3,7-dihydroxy(6,8-2H2)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-[3,4-Dihydroxy(2H3)phenyl]-3,7-dihydroxy(6,8-2H2)-4H-chromen-4-one [ACD/IUPAC Name]
2-[3,4-Dihydroxy(2H3)phényl]-3,7-dihydroxy(6,8-2H2)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one-6,8-d2, 2-(4,5-dihydroxyphenyl-2,3,6-d3)-3,7-dihydroxy- [ACD/Index 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: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 233.0±23.6 °C
Index of Refraction: 1.785
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.27
ACD/KOC (pH 5.5): 286.00
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 4.60
ACD/KOC (pH 7.4): 68.20
Polar Surface Area: 107 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 98.9±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

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