ChemSpider 2D Image | 1-[3,4-Dihydroxy(~2~H_3_)phenyl]ethanone | C8H5D3O3

1-[3,4-Dihydroxy(2H3)phenyl]ethanone

  • Molecular FormulaC8H5D3O3
  • Average mass155.166 Da
  • Monoisotopic mass155.066177 Da
  • ChemSpider ID107434914

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[3,4-Dihydroxy(2H3)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3,4-Dihydroxy(2H3)phenyl]ethanone [ACD/IUPAC Name]
1-[3,4-Dihydroxy(2H3)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(4,5-dihydroxyphenyl-2,3,6-d3)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 372.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 193.2±20.2 °C
Index of Refraction: 1.595
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 106.95
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 84.16
Polar Surface Area: 58 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 117.8±3.0 cm3

Click to predict properties on the Chemicalize site


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