ChemSpider 2D Image | 5-Methyl-3-pyrrolecarboxylic acid | C6H7NO2

5-Methyl-3-pyrrolecarboxylic acid

  • Molecular FormulaC6H7NO2
  • Average mass125.125 Da
  • Monoisotopic mass125.047676 Da
  • ChemSpider ID21108207

More details:

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

100047-52-7 [RN]
1H-Pyrrole-3-carboxylic acid, 5-methyl- [ACD/Index Name]
5-Methyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
5-Methyl-3-pyrrolecarboxylic acid
Acide 5-méthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
(4-carboxypyrrol-2-yl)methyl
[100047-52-7] [RN]
1H-Pyrrole-3-carboxylicacid, 5-methyl-
3-Pyrrolecarboxylicacid,5-methyl-(6CI)
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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: 1.3±0.1 g/cm3
    Boiling Point: 326.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 151.1±22.3 °C
    Index of Refraction: 1.587
    Molar Refractivity: 32.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.49
    ACD/KOC (pH 5.5): 30.94
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 12.9±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 96.6±3.0 cm3

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