ChemSpider 2D Image | Ethyl (2E)-hydroxy(2-oxodihydro-2H-pyran-3(4H)-ylidene)acetate | C9H12O5

Ethyl (2E)-hydroxy(2-oxodihydro-2H-pyran-3(4H)-ylidene)acetate

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID57428365

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-Hydroxy(2-oxodihydro-2H-pyran-3(4H)-ylidène)acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-(dihydro-2-oxo-2H-pyran-3(4H)-ylidene)-2-hydroxy-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-hydroxy(2-oxodihydro-2H-pyran-3(4H)-ylidene)acetate [ACD/IUPAC Name]
Ethyl-(2E)-hydroxy(2-oxodihydro-2H-pyran-3(4H)-yliden)acetat [German] [ACD/IUPAC Name]
(E)-ETHYL 2-HYDROXY-2-(2-OXO-DIHYDRO-2H-PYRAN-3(4H)-YLIDENE)ACETATE
110977-72-5 [RN]
ACETIC ACID, (DIHYDRO-2-OXO-2H-PYRAN-3(4H)-YLIDENE)HYDROXY-, ETHYLESTER
Ethyl 2-hydroxy-2-(2-oxodihydro-2H-pyran-3(4H)-ylidene)acetate
ETHYL 2-HYDROXY-2-[(3E)-2-OXOOXAN-3-YLIDENE]ACETATE
MFCD29078989

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 376.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±6.0 kJ/mol
    Flash Point: 152.1±21.4 °C
    Index of Refraction: 1.515
    Molar Refractivity: 46.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.18
    ACD/LogD (pH 5.5): -0.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.05
    ACD/LogD (pH 7.4): -2.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 73 Å2
    Polarizability: 18.3±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 153.4±3.0 cm3

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