ChemSpider 2D Image | 3,4,5-Tris[(~2~H)hydroxy](O-~2~H)benzoic acid | C7H2D4O5

3,4,5-Tris[(2H)hydroxy](O-2H)benzoic acid

  • Molecular FormulaC7H2D4O5
  • Average mass174.144 Da
  • Monoisotopic mass174.046631 Da
  • ChemSpider ID95698146
  • Non-standard isotope - Non-standard isotope


More details:






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

3,4,5-Tris[(2H)hydroxy](O-2H)benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Tris[(2H)hydroxy](O-2H)benzoic acid [ACD/IUPAC Name]
Acide 3,4,5-tris[(2H)hydroxy](O-2H)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid-d, 3,4,5-tri(hydroxy-d)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 271.0±26.6 °C
Index of Refraction: 1.730
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -2.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 109.3±3.0 dyne/cm
Molar Volume: 97.3±3.0 cm3

Click to predict properties on the Chemicalize site






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