ChemSpider 2D Image | 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid | C16H17NO3

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid

  • Molecular FormulaC16H17NO3
  • Average mass271.311 Da
  • Monoisotopic mass271.120850 Da
  • ChemSpider ID21800600

More details:

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

1H-Pyrrole-1-propanoic acid, 3-acetyl-2-methyl-5-phenyl- [ACD/Index Name]
3-(3-Acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)propansäure [German] [ACD/IUPAC Name]
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid
396123-28-7 [RN]
Acide 3-(3-acétyl-2-méthyl-5-phényl-1H-pyrrol-1-yl)propanoïque [French] [ACD/IUPAC Name]
[396123-28-7] [RN]
3-(3-Acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-propanoic acid
3-(3-acetyl-2-methyl-5-phenylpyrrolyl)propanoic acid
5-Amino-3-methyl-2-pyridinecarbonitrile [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027261 [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: 481.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.6±3.0 kJ/mol
    Flash Point: 244.8±28.7 °C
    Index of Refraction: 1.575
    Molar Refractivity: 77.3±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.23
    ACD/LogD (pH 7.4): -0.94
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 59 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 234.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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