ChemSpider 2D Image | Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C29H26O7

Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC29H26O7
  • Average mass486.513 Da
  • Monoisotopic mass486.167847 Da
  • ChemSpider ID29771025

More details:

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

3-[7-Hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-3-{4-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 7-hydroxy-3-(4-hydroxyphenyl)-β-[4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-{4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoat [German] [ACD/IUPAC Name]
1574473-93-0 [RN]
METHYL 3-[7-HYDROXY-3-(4-HYDROXYPHENYL)-4-OXO-4H-CHROMEN-8-YL]-3-{4-[(2-METHYLPROP-2-EN-1-YL)OXY]PHENYL}PROPANOATE
methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-[4-(2-methylprop-2-enoxy)phenyl]propanoate
METHYL 3-[7-HYDROXY-3-(4-HYDROXYPHENYL)-4-OXOCHROMEN-8-YL]-3-{4-[(2-METHYLPROP-2-EN-1-YL)OXY]PHENYL}PROPANOATE

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 700.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 106.3±3.0 kJ/mol
    Flash Point: 233.7±26.4 °C
    Index of Refraction: 1.623
    Molar Refractivity: 133.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.60
    ACD/LogD (pH 5.5): 5.23
    ACD/BCF (pH 5.5): 5526.53
    ACD/KOC (pH 5.5): 16358.96
    ACD/LogD (pH 7.4): 4.52
    ACD/BCF (pH 7.4): 1074.42
    ACD/KOC (pH 7.4): 3180.36
    Polar Surface Area: 102 Å2
    Polarizability: 52.8±0.5 10-24cm3
    Surface Tension: 54.5±3.0 dyne/cm
    Molar Volume: 377.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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