ChemSpider 2D Image | 1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid | C17H21NO4

1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID21800771

More details:

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

1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethyl- [ACD/Index Name]
879329-83-6 [RN]
Acide 1-(2-méthoxyéthyl)-5-(4-méthoxyphényl)-2,4-diméthyl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]
1-(2-methoxyethyl)-5-(4-methoxyphenyl)-2,4-dimethylpyrrole-3-carboxylic acid

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

MFCD12027408 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 453.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 228.0±28.7 °C
    Index of Refraction: 1.545
    Molar Refractivity: 83.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 416.30
    ACD/KOC (pH 5.5): 2516.92
    ACD/LogD (pH 7.4): 2.75
    ACD/BCF (pH 7.4): 40.42
    ACD/KOC (pH 7.4): 244.38
    Polar Surface Area: 61 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 37.8±7.0 dyne/cm
    Molar Volume: 264.1±7.0 cm3

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