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

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

  • Molecular FormulaC16H9D3O7
  • Average mass319.281 Da
  • Monoisotopic mass319.077118 Da
  • ChemSpider ID58794403

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2H3)methyloxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2H3)methyloxy]-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-5,7-dihydroxy-3-[(2H3)méthyloxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(methyl-d3-oxy)- [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: 643.0±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: 244.7±25.0 °C
Index of Refraction: 1.762
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 25.68
ACD/KOC (pH 5.5): 334.65
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 14.50
Polar Surface Area: 116 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 101.5±5.0 dyne/cm
Molar Volume: 186.9±5.0 cm3

Click to predict properties on the Chemicalize site


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