ChemSpider 2D Image | Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate | C9H9NO6

Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

  • Molecular FormulaC9H9NO6
  • Average mass227.171 Da
  • Monoisotopic mass227.042984 Da
  • ChemSpider ID26052738

More details:

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

215659-03-3 [RN]
5-Hydroxy-4-méthoxy-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-hydroxy-4-methoxy-2-nitro-, methyl ester [ACD/Index Name]
Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-5-hydroxy-4-methoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
[215659-03-3] [RN]
2-Hydroxy-4-(methoxycarbonyl)-5-nitroanisole
2-Methoxy-5-(methoxycarbonyl)-4-nitrophenol
2-Methoxy-5-(methoxycarbonyl)-4-nitrophenol, 2-Hydroxy-4-(methoxycarbonyl)-5-nitroanisole
2-Methoxy-5-(methoxycarbonyl)-4-nitrophenol; 2-Hydroxy-4-(methoxycarbonyl)-5-nitroanisole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 419.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.9±3.0 kJ/mol
    Flash Point: 207.5±28.7 °C
    Index of Refraction: 1.571
    Molar Refractivity: 53.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 11.87
    ACD/KOC (pH 5.5): 194.26
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.04
    Polar Surface Area: 102 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 161.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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