ChemSpider 2D Image | 4-[(3-Ethoxy-3-oxopropyl)amino]-3-nitrobenzoic acid | C12H14N2O6

4-[(3-Ethoxy-3-oxopropyl)amino]-3-nitrobenzoic acid

  • Molecular FormulaC12H14N2O6
  • Average mass282.249 Da
  • Monoisotopic mass282.085175 Da
  • ChemSpider ID21379497

More details:

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

4-[(3-Ethoxy-3-oxopropyl)amino]-3-nitrobenzoesäure [German] [ACD/IUPAC Name]
4-[(3-Ethoxy-3-oxopropyl)amino]-3-nitrobenzoic acid [ACD/IUPAC Name]
Acide 4-[(3-éthoxy-3-oxopropyl)amino]-3-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(3-ethoxy-3-oxopropyl)amino]-3-nitro- [ACD/Index Name]
180505-97-9 [RN]
4-((3-Ethoxy-3-oxopropyl)amino)-3-nitrobenzoic acid
4-(3-ethoxy-3-oxopropylamino)-3-nitrobenzoic acid
MFCD09788632

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 490.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.7±3.0 kJ/mol
    Flash Point: 250.1±28.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 69.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 1.58
    ACD/KOC (pH 5.5): 18.49
    ACD/LogD (pH 7.4): -0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 61.4±3.0 dyne/cm
    Molar Volume: 202.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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