ChemSpider 2D Image | MFCD00190491 | C6HD4NO2

MFCD00190491

  • Molecular FormulaC6HD4NO2
  • Average mass127.134 Da
  • Monoisotopic mass127.057137 Da
  • ChemSpider ID21170376

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H4)Pyridine-3-carboxylic acid
3-(2H4)Pyridincarbonsäure [German] [ACD/IUPAC Name]
3-(2H4)Pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridine-2,4,5,6-d4-carboxylic acid
3-Pyridine-d4-carboxylic acid [ACD/Index Name]
3-Pyridine-d4-carboxylic acid
66148-15-0 [RN]
Acide 3-(2H4)pyridinecarboxylique [French] [ACD/IUPAC Name]
MFCD00190491
Niacin-(ring-d4)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

486086_ALDRICH [DBID]
MFCD00006391 [DBID]

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

    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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