ChemSpider 2D Image | 4,5-Bis[hydroxy(~2~H_2_)methyl]-2-methyl-3-pyridinol | C8H7D4NO3

4,5-Bis[hydroxy(2H2)methyl]-2-methyl-3-pyridinol

  • Molecular FormulaC8H7D4NO3
  • Average mass173.202 Da
  • Monoisotopic mass173.098999 Da
  • ChemSpider ID58794552

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Pyridinedimethan-α3,α3,α4,α4-d4-ol, 5-hydroxy-6-methyl- [ACD/Index Name]
4,5-Bis[hydroxy(2H2)methyl]-2-methyl-3-pyridinol [German] [ACD/IUPAC Name]
4,5-Bis[hydroxy(2H2)methyl]-2-methyl-3-pyridinol [ACD/IUPAC Name]
4,5-Bis[hydroxy(2H2)méthyl]-2-méthyl-3-pyridinol [French] [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: 491.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.3±27.3 °C
Index of Refraction: 1.621
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.41
Polar Surface Area: 74 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

Click to predict properties on the Chemicalize site


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