ChemSpider 2D Image | 7-Hydroxy-3-[4-hydroxy(~2~H_4_)phenyl]-6-methoxy(5,8-~2~H_2_)-4H-chromen-4-one | C16H6D6O5

7-Hydroxy-3-[4-hydroxy(2H4)phenyl]-6-methoxy(5,8-2H2)-4H-chromen-4-one

  • Molecular FormulaC16H6D6O5
  • Average mass290.301 Da
  • Monoisotopic mass290.106140 Da
  • ChemSpider ID10167343

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 547.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 210.1±23.6 °C
Index of Refraction: 1.669
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 57.99
ACD/KOC (pH 5.5): 631.55
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 18.33
ACD/KOC (pH 7.4): 199.58
Polar Surface Area: 76 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 200.1±3.0 cm3

Click to predict properties on the Chemicalize site


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