ChemSpider 2D Image | Methyl 2,4-dihydroxy-3-nitrobenzoate | C8H7NO6

Methyl 2,4-dihydroxy-3-nitrobenzoate

  • Molecular FormulaC8H7NO6
  • Average mass213.144 Da
  • Monoisotopic mass213.027344 Da
  • ChemSpider ID26537351

More details:

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

2,4-Dihydroxy-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
956105-56-9 [RN]
Benzoic acid, 2,4-dihydroxy-3-nitro-, methyl ester [ACD/Index Name]
Methyl 2,4-dihydroxy-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-2,4-dihydroxy-3-nitrobenzoat [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-nitro-benzoic acid methyl ester
MFCD10699565 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 296.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 133.3±25.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 48.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.09
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 113 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 73.0±3.0 dyne/cm
    Molar Volume: 136.0±3.0 cm3

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