ChemSpider 2D Image | 4-{[3-(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]methyl}cyclohexane-1-carboxylic acid | C17H25NO4

4-{[3-(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]methyl}cyclohexane-1-carboxylic acid

  • Molecular FormulaC17H25NO4
  • Average mass307.385 Da
  • Monoisotopic mass307.178345 Da
  • ChemSpider ID21800621

More details:

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

1H-Pyrrole-3-carboxylic acid, 1-[(4-carboxycyclohexyl)methyl]-2,5-dimethyl-, 3-ethyl ester [ACD/Index Name]
4-{[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]methyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
4-{[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]methyl}cyclohexane-1-carboxylic acid
4-{[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]methyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
4-{[3-(ethoxycarbonyl)-2,5-dimethylpyrrol-1-yl]methyl}cyclohexane-1-carboxylic acid
876294-65-4 [RN]
Acide 4-{[3-(éthoxycarbonyl)-2,5-diméthyl-1H-pyrrol-1-yl]méthyl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
4-((3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)methyl)cyclohexanecarboxylic acid
4-([3-(Ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-1-yl]methyl)cyclohexanecarboxylic acid
4-[(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid

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

MFCD12027273 [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: 471.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 238.8±27.3 °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: 3.62
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 75.19
    ACD/KOC (pH 5.5): 446.24
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 1.20
    ACD/KOC (pH 7.4): 7.11
    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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