ChemSpider 2D Image | [3-(ethoxycarbonyl)-2,4-dimethyl-5-phenylpyrrol-1-yl]acetic acid | C17H19NO4

[3-(ethoxycarbonyl)-2,4-dimethyl-5-phenylpyrrol-1-yl]acetic acid

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID21800594

More details:

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

[3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrol-1-yl]acetic acid [ACD/IUPAC Name]
[3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[3-(ethoxycarbonyl)-2,4-dimethyl-5-phenylpyrrol-1-yl]acetic acid
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl- [ACD/Index Name]
2-[3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrol-1-yl]acetic acid
3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-1-acetic acid
396123-24-3 [RN]
Acide [3-(éthoxycarbonyl)-2,4-diméthyl-5-phényl-1H-pyrrol-1-yl]acétique [French] [ACD/IUPAC Name]
2-(3-(Ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrol-1-yl)acetic acid
2-(3-ethoxycarbonyl-2,4-dimethyl-5-phenylpyrrol-1-yl)acetic acid

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

MFCD12027256 [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: 455.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 229.0±28.7 °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: 4.04
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.78
    ACD/LogD (pH 7.4): -0.37
    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

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