ChemSpider 2D Image | 5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxylic acid | C17H21NO4

5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID21800596

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl- [ACD/Index Name]
5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-Methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
879329-81-4 [RN]
Acide 5-(4-méthoxyphényl)-1-(3-méthoxypropyl)-2-méthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxylic acid

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

MFCD06817936 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 477.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.1±3.0 kJ/mol
    Flash Point: 242.6±28.7 °C
    Index of Refraction: 1.544
    Molar Refractivity: 83.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 289.44
    ACD/KOC (pH 5.5): 1792.38
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 10.93
    ACD/KOC (pH 7.4): 67.71
    Polar Surface Area: 61 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 39.0±7.0 dyne/cm
    Molar Volume: 265.0±7.0 cm3

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