ChemSpider 2D Image | Methyl 3,4-dihydroxy(~2~H_3_)benzoate | C8H5D3O4

Methyl 3,4-dihydroxy(2H3)benzoate

  • Molecular FormulaC8H5D3O4
  • Average mass171.165 Da
  • Monoisotopic mass171.061096 Da
  • ChemSpider ID107435342

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Dihydroxy(2H3)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic-2,3,6-d3 acid, 4,5-dihydroxy-, methyl ester [ACD/Index Name]
Methyl 3,4-dihydroxy(2H3)benzoate [ACD/IUPAC Name]
Methyl-3,4-dihydroxy(2H3)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 351.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 148.5±15.8 °C
Index of Refraction: 1.588
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.72
ACD/KOC (pH 5.5): 163.82
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.35
ACD/KOC (pH 7.4): 138.23
Polar Surface Area: 67 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 124.2±3.0 cm3

Click to predict properties on the Chemicalize site


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