ChemSpider 2D Image | 1-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid | C16H19NO3

1-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid

  • Molecular FormulaC16H19NO3
  • Average mass273.327 Da
  • Monoisotopic mass273.136505 Da
  • ChemSpider ID21800592

More details:

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

1-(3-Methoxypropyl)-2-methyl-5-phenyl-1H-pyrrol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(3-Methoxypropyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid [ACD/IUPAC Name]
1-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
1H-Pyrrole-3-carboxylic acid, 1-(3-methoxypropyl)-2-methyl-5-phenyl- [ACD/Index Name]
879329-77-8 [RN]
Acide 1-(3-méthoxypropyl)-2-méthyl-5-phényl-1H-pyrrole-3-carboxylique [French] [ACD/IUPAC Name]

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

MFCD06817929 [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: 446.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 224.1±28.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 77.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 166.63
    ACD/KOC (pH 5.5): 1168.47
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 5.26
    ACD/KOC (pH 7.4): 36.89
    Polar Surface Area: 51 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 40.1±7.0 dyne/cm
    Molar Volume: 243.3±7.0 cm3

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