ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[(~2~H_3_)methyloxy]-4H-chromen-4-one | C16H9D3O6

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

  • Molecular FormulaC16H9D3O6
  • Average mass303.281 Da
  • Monoisotopic mass303.082214 Da
  • ChemSpider ID107433965

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[(2H3)methyloxy]-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-[(2H3)methyloxy]-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-7-hydroxy-3-[(2H3)méthyloxy]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(methyl-d3-oxy)- [ACD/Index Name]
1187933-46-5 [RN]
1188240-91-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 230.4±25.0 °C
Index of Refraction: 1.726
Molar Refractivity: 75.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 22.87
ACD/KOC (pH 5.5): 322.52
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 68.55
Polar Surface Area: 96 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 190.0±5.0 cm3

Click to predict properties on the Chemicalize site


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