ChemSpider 2D Image | 3-Hydroxy-5-[hydroxy(~2~H_2_)methyl]-2-methyl-4-pyridine(~2~H)carbaldehyde | C8H6D3NO3

3-Hydroxy-5-[hydroxy(2H2)methyl]-2-methyl-4-pyridine(2H)carbaldehyde

  • Molecular FormulaC8H6D3NO3
  • Average mass170.180 Da
  • Monoisotopic mass170.077072 Da
  • ChemSpider ID58798658

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-5-[hydroxy(2H2)methyl]-2-methyl-4-pyridin(2H)carbaldehyd [German] [ACD/IUPAC Name]
3-Hydroxy-5-[hydroxy(2H2)methyl]-2-methyl-4-pyridine(2H)carbaldehyde [ACD/IUPAC Name]
3-Hydroxy-5-[hydroxy(2H2)méthyl]-2-méthyl-4-pyridine(2H)carbaldéhyde [French] [ACD/IUPAC Name]
4-Pyridinecarboxaldehyde-d, 3-hydroxy-5-(hydroxymethyl-d2)-2-methyl- [ACD/Index Name]
66-72-8 [RN]
MFCD00464806 [MDL number]
Pyridoxal Labeled d3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 412.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 203.5±27.3 °C
Index of Refraction: 1.640
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 42.78
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 30.39
Polar Surface Area: 70 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 122.8±3.0 cm3

Click to predict properties on the Chemicalize site


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