ChemSpider 2D Image | 3,4,5-Trihydroxybenzoic-2,6-d2 Acid | C7H4D2O5

3,4,5-Trihydroxybenzoic-2,6-d2 Acid

  • Molecular FormulaC7H4D2O5
  • Average mass172.132 Da
  • Monoisotopic mass172.034073 Da
  • ChemSpider ID8710583
  • Non-standard isotope - Non-standard isotope


More details:






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

294660-92-7 [RN]
3,4,5-Trihydroxy(2H2)benzoesäure [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy(2H2)benzoic acid [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoic-2,6-d2 Acid
Acide 3,4,5-trihydroxy(2H2)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,6-d2 acid, 3,4,5-trihydroxy- [ACD/Index Name]
2,6-dideuterio-3,4,5-trihydroxybenzoic acid
Gallic acid [Wiki]
Gallic acid D2 (2,6 D2)

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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