ChemSpider 2D Image | Methyl 1-(~2~H_3_)methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C8H6D3NO3

Methyl 1-(2H3)methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC8H6D3NO3
  • Average mass170.180 Da
  • Monoisotopic mass170.077072 Da
  • ChemSpider ID77354580

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Méthyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,6-dihydro-1-(methyl-d3)-6-oxo-, methyl ester [ACD/Index Name]
Methyl 1-(2H3)methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-1-(2H3)methyl-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
2140326-54-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 307.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.7±25.9 °C
Index of Refraction: 1.523
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.61
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.61
Polar Surface Area: 47 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 136.2±3.0 cm3

Click to predict properties on the Chemicalize site


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