ChemSpider 2D Image | Methyl 1-(2-methyl-3-nitrophenyl)-4-oxocyclohexanecarboxylate | C15H17NO5

Methyl 1-(2-methyl-3-nitrophenyl)-4-oxocyclohexanecarboxylate

  • Molecular FormulaC15H17NO5
  • Average mass291.299 Da
  • Monoisotopic mass291.110687 Da
  • ChemSpider ID28553244

More details:

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

1-(2-Méthyl-3-nitrophényl)-4-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1385694-51-8 [RN]
Cyclohexanecarboxylic acid, 1-(2-methyl-3-nitrophenyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 1-(2-methyl-3-nitrophenyl)-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-(2-methyl-3-nitrophenyl)-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
(S)-(9H-Fluoren-9-yl)methyl 4-(tert-butoxymethyl)-2,5-dioxooxazolidine-3-carboxylate
AC4947
METHYL 1-(2-METHYL-3-NITROPHENYL)-4-OXOCYCLOHEXANE-1-CARBOXYLATE
MFCD22423144 [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: 423.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 174.8±30.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 74.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.13
    ACD/BCF (pH 5.5): 24.70
    ACD/KOC (pH 5.5): 345.54
    ACD/LogD (pH 7.4): 2.13
    ACD/BCF (pH 7.4): 24.70
    ACD/KOC (pH 7.4): 345.54
    Polar Surface Area: 89 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 231.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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