ChemSpider 2D Image | Ethyl 3,4-dihydroxy-2-nitrobenzoate | C9H9NO6

Ethyl 3,4-dihydroxy-2-nitrobenzoate

  • Molecular FormulaC9H9NO6
  • Average mass227.171 Da
  • Monoisotopic mass227.042984 Da
  • ChemSpider ID57579301

More details:

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

3,4-Dihydroxy-2-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dihydroxy-2-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3,4-dihydroxy-2-nitrobenzoate [ACD/IUPAC Name]
Ethyl-3,4-dihydroxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
1384868-07-8 [RN]
DS-19742
ethyl3,4-dihydroxy-2-nitrobenzoate
MFCD26386921

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 373.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 179.5±27.9 °C
    Index of Refraction: 1.611
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.90
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 30.89
    ACD/KOC (pH 5.5): 395.19
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 3.98
    ACD/KOC (pH 7.4): 50.87
    Polar Surface Area: 113 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 67.6±3.0 dyne/cm
    Molar Volume: 152.5±3.0 cm3

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