ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(~2~H_3_)methyloxy]-4H-chromen-4-one | C16H9D3O7

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(2H3)methyloxy]-4H-chromen-4-one

  • Molecular FormulaC16H9D3O7
  • Average mass319.281 Da
  • Monoisotopic mass319.077118 Da
  • ChemSpider ID58794555

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(2H3)methyloxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-[(2H3)methyloxy]-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3,5-dihydroxy-7-[(2H3)méthyloxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-(methyl-d3-oxy)- [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: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 239.0±25.0 °C
Index of Refraction: 1.741
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 24.63
ACD/KOC (pH 5.5): 328.84
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 24.09
Polar Surface Area: 116 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 88.3±3.0 dyne/cm
Molar Volume: 193.5±3.0 cm3

Click to predict properties on the Chemicalize site


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