ChemSpider 2D Image | Methyl 3-oxocyclobutanecarboxylate | C6H8O3

Methyl 3-oxocyclobutanecarboxylate

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID13557434

More details:

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

3-Oxocyclobutanecarboxylate de méthyle [French] [ACD/IUPAC Name]
695-95-4 [RN]
Cyclobutanecarboxylic acid, 3-oxo-, methyl ester [ACD/Index Name]
Methyl 3-oxocyclobutane-1-carboxylate
Methyl 3-oxocyclobutanecarboxylate [ACD/IUPAC Name]
Methyl-3-oxocyclobutancarboxylat [German] [ACD/IUPAC Name]
(4-methoxy-1-naphthyl) acetate
??methyl 3-oxocyclobutanecarboxylate
[695-95-4] [RN]
3-methoxycarbonylcyclobutanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 188.0±33.0 °C at 760 mmHg
    Vapour Pressure: 0.6±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.4±3.0 kJ/mol
    Flash Point: 72.5±25.4 °C
    Index of Refraction: 1.474
    Molar Refractivity: 29.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.57
    ACD/LogD (pH 5.5): -0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.54
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.54
    Polar Surface Area: 43 Å2
    Polarizability: 11.7±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 105.1±3.0 cm3

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