ChemSpider 2D Image | Methyl 2-hydroxy-5-methoxy-3-nitrobenzoate | C9H9NO6

Methyl 2-hydroxy-5-methoxy-3-nitrobenzoate

  • Molecular FormulaC9H9NO6
  • Average mass227.171 Da
  • Monoisotopic mass227.042984 Da
  • ChemSpider ID25076061

More details:

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

2888-09-7 [RN]
2-Hydroxy-5-méthoxy-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-5-methoxy-3-nitro-, methyl ester [ACD/Index Name]
Methyl 2-hydroxy-5-methoxy-3-nitrobenzenecarboxylate
Methyl 2-hydroxy-5-methoxy-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-hydroxy-5-methoxy-3-nitrobenzoat [German] [ACD/IUPAC Name]
07/09/88
09/07/2888
4-Methoxy-2-(methoxycarbonyl)-6-nitrophenol
methyl2-hydroxy-5-methoxy-3-nitrobenzenecarboxylate
More...

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

07.09.2888 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 333.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 155.5±26.5 °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: 2.46
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.44
    ACD/KOC (pH 5.5): 555.36
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 15.83
    ACD/KOC (pH 7.4): 181.55
    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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