Found 14890 results

Search term: MF = 'C_{12}H_{13}N_{3}O_{3}'
ChemSpider 2D Image | 7-(3-Nitrophenyl)-5,8-diazaspiro[3.4]octan-6-one | C12H13N3O3

7-(3-Nitrophenyl)-5,8-diazaspiro[3.4]octan-6-one

  • Molecular FormulaC12H13N3O3
  • Average mass247.250 Da
  • Monoisotopic mass247.095688 Da
  • ChemSpider ID26403815

More details:

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

1272755-97-1 [RN]
5,8-Diazaspiro[3.4]octan-6-one, 7-(3-nitrophenyl)- [ACD/Index Name]
7-(3-Nitrophenyl)-5,8-diazaspiro[3.4]octan-6-on [German] [ACD/IUPAC Name]
7-(3-Nitrophenyl)-5,8-diazaspiro[3.4]octan-6-one [ACD/IUPAC Name]
7-(3-Nitrophényl)-5,8-diazaspiro[3.4]octan-6-one [French] [ACD/IUPAC Name]
53463-68-6 [RN]
6-(3-nitrophenyl)-5,8-diazaspiro[3.4]octan-7-one
MFCD18651749 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 501.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.3±30.1 °C
    Index of Refraction: 1.645
    Molar Refractivity: 63.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.15
    ACD/LogD (pH 5.5): 0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 30.03
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 30.76
    Polar Surface Area: 87 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 176.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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