ChemSpider 2D Image | (1-Methyl-1H-pyrrol-3-yl)acetic acid | C7H9NO2

(1-Methyl-1H-pyrrol-3-yl)acetic acid

  • Molecular FormulaC7H9NO2
  • Average mass139.152 Da
  • Monoisotopic mass139.063324 Da
  • ChemSpider ID22484485

More details:

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

(1-Methyl-1H-pyrrol-3-yl)acetic acid [ACD/IUPAC Name]
(1-Methyl-1H-pyrrol-3-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-3-acetic acid, 1-methyl- [ACD/Index Name]
2-(1-Methyl-1H-pyrrol-3-yl)acetic acid
915919-88-9 [RN]
Acide (1-méthyl-1H-pyrrol-3-yl)acétique [French] [ACD/IUPAC Name]
2-(1-methylpyrrol-3-yl)acetic acid
MFCD08060084 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 282.8±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.1±3.0 kJ/mol
    Flash Point: 124.8±20.4 °C
    Index of Refraction: 1.536
    Molar Refractivity: 37.7±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.32
    ACD/LogD (pH 7.4): -1.71
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 42 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 41.8±7.0 dyne/cm
    Molar Volume: 121.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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