ChemSpider 2D Image | 1-(~2~H_3_)Methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid | C7H4D3NO3

1-(2H3)Methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC7H4D3NO3
  • Average mass156.154 Da
  • Monoisotopic mass156.061417 Da
  • ChemSpider ID77354578
  • Non-standard isotope - Non-standard isotope


More details:






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

1-(2H3)Methyl-6-oxo-1,6-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
1-(2H3)Methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1,6-dihydro-1-(methyl-d3)-6-oxo- [ACD/Index Name]
Acide 1-(2H3)méthyl-6-oxo-1,6-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]
1207384-50-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 329.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 153.2±25.9 °C
Index of Refraction: 1.578
Molar Refractivity: 36.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 110.8±3.0 cm3

Click to predict properties on the Chemicalize site






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