ChemSpider 2D Image | ETHYL 2-OXO-2-(4-OXOOXAN-3-YL)ACETATE | C9H12O5

ETHYL 2-OXO-2-(4-OXOOXAN-3-YL)ACETATE

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID30649644

More details:

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

2H-Pyran-3-acetic acid, tetrahydro-α,4-dioxo-, ethyl ester [ACD/Index Name]
857177-01-6 [RN]
ETHYL 2-OXO-2-(4-OXOOXAN-3-YL)ACETATE
Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate [ACD/IUPAC Name]
Ethyl-oxo(4-oxotetrahydro-2H-pyran-3-yl)acetat [German] [ACD/IUPAC Name]
Oxo(4-oxotétrahydro-2H-pyran-3-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate
MFCD21604042

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 331.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 147.7±26.5 °C
    Index of Refraction: 1.469
    Molar Refractivity: 45.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.74
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.80
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.87
    Polar Surface Area: 70 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 161.7±3.0 cm3

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