ChemSpider 2D Image | 3-Acetoxy-5-[(1E)-3-(2,4-diacetoxyphenyl)-3-oxo-1-propen-1-yl]phenyl acetate | C23H20O9

3-Acetoxy-5-[(1E)-3-(2,4-diacetoxyphenyl)-3-oxo-1-propen-1-yl]phenyl acetate

  • Molecular FormulaC23H20O9
  • Average mass440.400 Da
  • Monoisotopic mass440.110718 Da
  • ChemSpider ID22871660

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propen-1-one, 1-[2,4-bis(acetyloxy)phenyl]-3-[3,5-bis(acetyloxy)phenyl]-, (2E)- [ACD/Index Name]
3-Acetoxy-5-[(1E)-3-(2,4-diacetoxyphenyl)-3-oxo-1-propen-1-yl]phenyl acetate [ACD/IUPAC Name]
3-Acetoxy-5-[(1E)-3-(2,4-diacetoxyphenyl)-3-oxo-1-propen-1-yl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-acétoxy-5-[(1E)-3-(2,4-diacétoxyphényl)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
(E)-5-(3-(2,4-diacetoxyphenyl)-3-oxoprop-1-en-1-yl)-1,3-phenylene diacetate
[3-acetyloxy-4-[(E)-3-(3,5-diacetyloxyphenyl)prop-2-enoyl]phenyl] acetate
[5-ACETYLOXY-2-[(E)-3-(3,5-DIACETYLOXYPHENYL)PROP-2-ENOYL]PHENYL] ACETATE
75514-32-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 614.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.2±3.0 kJ/mol
    Flash Point: 265.4±31.5 °C
    Index of Refraction: 1.575
    Molar Refractivity: 112.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 1.42
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.82
    ACD/KOC (pH 5.5): 579.18
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.82
    ACD/KOC (pH 7.4): 579.18
    Polar Surface Area: 122 Å2
    Polarizability: 44.6±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 340.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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