ChemSpider 2D Image | 1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylic acid | C16H19NO4

1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylic acid

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID21512797

More details:

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

1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylic acid
1H-Pyrrole-3-carboxylic acid, 1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2-methyl- [ACD/Index Name]
879329-80-3 [RN]
Acide 1-(2-méthoxyéthyl)-5-(4-méthoxyphényl)-2-méthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
MFCD06817716 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 462.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 233.5±28.7 °C
    Index of Refraction: 1.548
    Molar Refractivity: 79.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 179.95
    ACD/KOC (pH 5.5): 1267.81
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 6.54
    ACD/KOC (pH 7.4): 46.10
    Polar Surface Area: 61 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 39.4±7.0 dyne/cm
    Molar Volume: 248.9±7.0 cm3

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