ChemSpider 2D Image | Methyl oxane-3-carboxylate | C7H12O3

Methyl oxane-3-carboxylate

  • Molecular FormulaC7H12O3
  • Average mass144.168 Da
  • Monoisotopic mass144.078644 Da
  • ChemSpider ID23499651

More details:

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

159358-47-1 [RN]
159358-48-2 [RN]
18729-20-9 [RN]
2H-Pyran-3-carboxylic acid, tetrahydro-, methyl ester [ACD/Index Name]
methyl (+)-tetrahydro-2H-pyran-3-carboxylate
Methyl oxane-3-carboxylate
Methyl tetrahydro-2H-pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-tetrahydro-2H-pyran-3-carboxylat [German] [ACD/IUPAC Name]
Tétrahydro-2H-pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
(+)-Methyl tetrahydro-2H-pyran-3-carboxylate
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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: 1.1±0.1 g/cm3
    Boiling Point: 183.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.8±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 42.0±3.0 kJ/mol
    Flash Point: 66.8±17.2 °C
    Index of Refraction: 1.440
    Molar Refractivity: 35.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.39
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.42
    ACD/KOC (pH 5.5): 65.61
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.42
    ACD/KOC (pH 7.4): 65.61
    Polar Surface Area: 36 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 33.3±3.0 dyne/cm
    Molar Volume: 135.1±3.0 cm3

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