ChemSpider 2D Image | 4-(4-Cyanophenyl)nicotinic acid | C13H8N2O2

4-(4-Cyanophenyl)nicotinic acid

  • Molecular FormulaC13H8N2O2
  • Average mass224.215 Da
  • Monoisotopic mass224.058578 Da
  • ChemSpider ID28295394

More details:

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

1261943-53-6 [RN]
3-Pyridinecarboxylic acid, 4-(4-cyanophenyl)- [ACD/Index Name]
4-(4-Cyanophenyl)nicotinic acid [ACD/IUPAC Name]
4-(4-Cyanophenyl)pyridine-3-carboxylic acid
4-(4-Cyanphenyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 4-(4-cyanophényl)nicotinique [French] [ACD/IUPAC Name]
[1261943-53-6] [RN]
MFCD18323329
n-(3-nitrophenyl)-3-oxo-butanamide
N-(3-Nitrophenyl)-3-oxobutanamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 424.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.6±3.0 kJ/mol
    Flash Point: 210.7±25.9 °C
    Index of Refraction: 1.656
    Molar Refractivity: 60.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.67
    ACD/LogD (pH 5.5): -0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 74 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 74.7±5.0 dyne/cm
    Molar Volume: 163.6±5.0 cm3

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