ChemSpider 2D Image | [3,4-Dihydroxy(~2~H_3_)phenyl](hydroxy)acetic acid | C8H5D3O5

[3,4-Dihydroxy(2H3)phenyl](hydroxy)acetic acid

  • Molecular FormulaC8H5D3O5
  • Average mass187.165 Da
  • Monoisotopic mass187.056000 Da
  • ChemSpider ID58785008

  • Non-standard isotope - Non-standard isotope

More details:

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

[3,4-Dihydroxy(2H3)phenyl](hydroxy)acetic acid [ACD/IUPAC Name]
[3,4-Dihydroxy(2H3)phenyl](hydroxy)essigsäure [German] [ACD/IUPAC Name]
Acide [3,4-dihydroxy(2H3)phényl](hydroxy)acétique [French] [ACD/IUPAC Name]
Benzene-2,3,6-d3-acetic acid, α,4,5-trihydroxy- [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: 487.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 262.7±23.8 °C
Index of Refraction: 1.687
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 96.6±3.0 dyne/cm
Molar Volume: 112.0±3.0 cm3

Click to predict properties on the Chemicalize site


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