ChemSpider 2D Image | 3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-1-propanoic acid | C17H19NO4

3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-1-propanoic acid

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID21512760

More details:

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

1H-Pyrrole-1-propanoic acid, 3-acetyl-5-(4-methoxyphenyl)-2-methyl- [ACD/Index Name]
3-[3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid [ACD/IUPAC Name]
3-[3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propansäure [German] [ACD/IUPAC Name]
3-[3-acetyl-5-(4-methoxyphenyl)-2-methylpyrrol-1-yl]propanoic acid
3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-1-propanoic acid
913837-62-4 [RN]
Acide 3-[3-acétyl-5-(4-méthoxyphényl)-2-méthyl-1H-pyrrol-1-yl]propanoïque [French] [ACD/IUPAC Name]
3-(3-Acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl)propanoic acid

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

MFCD09871512 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 509.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.2±3.0 kJ/mol
    Flash Point: 262.2±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 83.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.62
    ACD/LogD (pH 7.4): -0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 69 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 41.4±7.0 dyne/cm
    Molar Volume: 255.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement