ChemSpider 2D Image | [3,4-Dihydroxy(~2~H_3_)phenyl]acetic acid | C8H5D3O4

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

  • Molecular FormulaC8H5D3O4
  • Average mass171.165 Da
  • Monoisotopic mass171.061096 Da
  • ChemSpider ID57619733

  • Non-standard isotope - Non-standard isotope

More details:

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

[3,4-Dihydroxy(2H3)phenyl]acetic acid [ACD/IUPAC Name]
[3,4-Dihydroxy(2H3)phenyl]essigsäure [German] [ACD/IUPAC Name]
Acide [3,4-dihydroxy(2H3)phényl]acétique [French] [ACD/IUPAC Name]
Benzene-2,3,6-d3-acetic acid, 4,5-dihydroxy- [ACD/Index Name]
2,5,6-Trideutero-3,4-dihydroxyphenylessigsaeure
68408-04-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 418.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 221.0±21.1 °C
Index of Refraction: 1.643
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 113.7±3.0 cm3

Click to predict properties on the Chemicalize site


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