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Search term: ZZICZUSDFRAIAP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Hydroxy-4-nitrobenzyl pivalate | C12H15NO5

3-Hydroxy-4-nitrobenzyl pivalate

  • Molecular FormulaC12H15NO5
  • Average mass253.251 Da
  • Monoisotopic mass253.095016 Da
  • ChemSpider ID28535324

More details:

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

3-Hydroxy-4-nitrobenzyl pivalate [ACD/IUPAC Name]
3-Hydroxy-4-nitrobenzylpivalat [German] [ACD/IUPAC Name]
Pivalate de 3-hydroxy-4-nitrobenzyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (3-hydroxy-4-nitrophenyl)methyl ester [ACD/Index Name]
(3-Hydroxy-4-nitrophenyl)methyl 2,2-dimethylpropanoate
[929095-34-1] [RN]
3-Hydroxy-4-nitrobenzylpivalate
929095-34-1 [RN]
CS-14297
MFCD18642696 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 355.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 168.6±23.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 64.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 108.51
    ACD/KOC (pH 5.5): 978.07
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 17.94
    ACD/KOC (pH 7.4): 161.71
    Polar Surface Area: 92 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 202.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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