ChemSpider 2D Image | 3-[5-Ethoxy-4-(2-methoxy-2-oxoethoxy)-2-nitrophenyl]propanoic acid | C14H17NO8

3-[5-Ethoxy-4-(2-methoxy-2-oxoethoxy)-2-nitrophenyl]propanoic acid

  • Molecular FormulaC14H17NO8
  • Average mass327.287 Da
  • Monoisotopic mass327.095428 Da
  • ChemSpider ID23080901

More details:

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

3-[5-Ethoxy-4-(2-methoxy-2-oxoethoxy)-2-nitrophenyl]propanoic acid [ACD/IUPAC Name]
3-[5-Ethoxy-4-(2-methoxy-2-oxoethoxy)-2-nitrophenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[5-éthoxy-4-(2-méthoxy-2-oxoéthoxy)-2-nitrophényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-ethoxy-4-(2-methoxy-2-oxoethoxy)-2-nitro- [ACD/Index Name]
3-(5-Ethoxy-4-methoxycarbonylmethoxy-2-nitro-phenyl)-propionic acid
MFCD12972336

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 502.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.2±3.0 kJ/mol
    Flash Point: 257.5±28.7 °C
    Index of Refraction: 1.543
    Molar Refractivity: 77.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.79
    ACD/LogD (pH 7.4): -1.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 128 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 246.2±3.0 cm3

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