ChemSpider 2D Image | Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate | C29H26O7

Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate

  • Molecular FormulaC29H26O7
  • Average mass486.513 Da
  • Monoisotopic mass486.167847 Da
  • ChemSpider ID34496964

More details:






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

2H-1-Benzopyran-3-propanoic acid, β-[2-[2-(2,3-dihydro-5-benzofuranyl)ethoxy]phenyl]-4-hydroxy-2-oxo-, methyl ester [ACD/Index Name]
3-{2-[2-(2,3-Dihydro-1-benzofuran-5-yl)éthoxy]phényl}-3-(4-hydroxy-2-oxo-2H-chromén-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-{2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl}-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoat [German] [ACD/IUPAC Name]
1676097-77-0 [RN]
methyl 3-(2-(2-(2,3-dihydrobenzofuran-5-yl)ethoxy)phenyl)-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)propanoate
methyl 3-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-3-(4-hydroxy-2-oxochromen-3-yl)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: 703.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±3.0 kJ/mol
    Flash Point: 235.7±26.4 °C
    Index of Refraction: 1.641
    Molar Refractivity: 131.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.72
    ACD/LogD (pH 5.5): 4.28
    ACD/BCF (pH 5.5): 589.37
    ACD/KOC (pH 5.5): 1694.57
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 10.17
    ACD/KOC (pH 7.4): 29.23
    Polar Surface Area: 91 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 60.3±3.0 dyne/cm
    Molar Volume: 363.5±3.0 cm3

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