ChemSpider 2D Image | 5-Nitro-1H-pyrrole-2-carboxylic acid | C5H4N2O4

5-Nitro-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC5H4N2O4
  • Average mass156.096 Da
  • Monoisotopic mass156.017105 Da
  • ChemSpider ID21926798

More details:

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

13138-72-2 [RN]
1H-Pyrrole-2-carboxylic acid, 5-nitro- [ACD/Index Name]
5-Nitro-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
5-Nitro-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-nitro-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
5-nitro-1h-pyrrole-2-carboxylicacid
MFCD09971490 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 435.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 217.4±24.6 °C
    Index of Refraction: 1.664
    Molar Refractivity: 34.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): -1.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 13.5±0.5 10-24cm3
    Surface Tension: 90.9±3.0 dyne/cm
    Molar Volume: 92.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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