ChemSpider 2D Image | 3,4-Dihydroxy(~2~H_3_)benzoic acid | C7H3D3O4

3,4-Dihydroxy(2H3)benzoic acid

  • Molecular FormulaC7H3D3O4
  • Average mass157.139 Da
  • Monoisotopic mass157.045441 Da
  • ChemSpider ID107435341
  • Non-standard isotope - Non-standard isotope


More details:






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

3,4-Dihydroxy(2H3)benzoesäure [German] [ACD/IUPAC Name]
3,4-Dihydroxy(2H3)benzoic acid [ACD/IUPAC Name]
Acide 3,4-dihydroxy(2H3)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,6-d3 acid, 4,5-dihydroxy- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 410.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 216.3±22.4 °C
Index of Refraction: 1.671
Molar Refractivity: 36.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.15
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 98.8±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement