Found 178 results

Search term: MF = 'C_{9}H_{7}NO_{6}'
ChemSpider 2D Image | 4-Methyl-6-nitro-1,3-benzodioxole-5-carboxylic acid | C9H7NO6

4-Methyl-6-nitro-1,3-benzodioxole-5-carboxylic acid

  • Molecular FormulaC9H7NO6
  • Average mass225.155 Da
  • Monoisotopic mass225.027344 Da
  • ChemSpider ID29739105

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 4-methyl-6-nitro- [ACD/Index Name]
4-Methyl-6-nitro-1,3-benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Methyl-6-nitro-1,3-benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-6-nitro-1,3-benzodioxole-5-carboxylique [French] [ACD/IUPAC Name]
[861588-35-4] [RN]
4-methyl-6-nitro-2H-1,3-benzodioxole-5-carboxylic acid
4-Methyl-6-nitrobenzo[d][1,3]dioxole-5-carboxylic acid
861588-35-4 [RN]
MFCD26523308 [MDL number]
SS-4648

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 408.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 200.6±28.7 °C
    Index of Refraction: 1.637
    Molar Refractivity: 50.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): -0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 20.1±0.5 10-24cm3
    Surface Tension: 76.6±3.0 dyne/cm
    Molar Volume: 141.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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