ChemSpider 2D Image | 3-(4-~2~H)Pyridinecarboxylic acid | C6H4DNO2

3-(4-2H)Pyridinecarboxylic acid

  • Molecular FormulaC6H4DNO2
  • Average mass124.116 Da
  • Monoisotopic mass124.038307 Da
  • ChemSpider ID23976922
  • Non-standard isotope - Non-standard isotope


More details:






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

3-(4-2H)Pyridincarbonsäure [German] [ACD/IUPAC Name]
3-(4-2H)Pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridine-4-d-carboxylic acid [ACD/Index Name]
Acide 3-(4-2H)pyridinecarboxylique [French] [ACD/IUPAC Name]
116975-14-5 [RN]
Nicotinic Acid-d1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 292.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 130.7±19.8 °C
Index of Refraction: 1.571
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 95.2±3.0 cm3

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