ChemSpider 2D Image | 5,7-Dihydroxy-3-[4-hydroxy(~2~H_4_)phenyl](6,8-~2~H_2_)-4H-chromen-4-one | C15H4D6O5

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

  • Molecular FormulaC15H4D6O5
  • Average mass276.274 Da
  • Monoisotopic mass276.090485 Da
  • ChemSpider ID9175496
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-1-Benzopyran-4-one-6,8-d2, 5,7-dihydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)- [ACD/Index Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phenyl](6,8-2H2)-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phenyl](6,8-2H2)-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-3-[4-hydroxy(2H4)phényl](6,8-2H2)-4H-chromén-4-one [French] [ACD/IUPAC Name]
197657-74-2 [RN]
6,8-dideuterio-5,7-dihydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 555.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 217.1±23.6 °C
Index of Refraction: 1.732
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 51.63
ACD/KOC (pH 5.5): 564.59
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 42.32
Polar Surface Area: 87 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 174.6±3.0 cm3

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