ChemSpider 2D Image | 5-Nitro-3-oxo-1-indanecarboxylic acid | C10H7NO5

5-Nitro-3-oxo-1-indanecarboxylic acid

  • Molecular FormulaC10H7NO5
  • Average mass221.166 Da
  • Monoisotopic mass221.032425 Da
  • ChemSpider ID35488719

More details:

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

1427012-30-3 [RN]
1H-Indene-1-carboxylic acid, 2,3-dihydro-5-nitro-3-oxo- [ACD/Index Name]
5-Nitro-3-oxo-1-indancarbonsäure [German] [ACD/IUPAC Name]
5-Nitro-3-oxo-1-indanecarboxylic acid [ACD/IUPAC Name]
5-Nitro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Acide 5-nitro-3-oxo-1-indanecarboxylique [French] [ACD/IUPAC Name]
5-nitro-3-oxo-1,2-dihydroindene-1-carboxylic acid
5-Nitro-3-oxo-indan-1-carboxylic acid
MFCD23134801

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 462.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 206.0±17.2 °C
    Index of Refraction: 1.658
    Molar Refractivity: 51.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.81
    ACD/LogD (pH 5.5): -1.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 100 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 79.2±3.0 dyne/cm
    Molar Volume: 139.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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