ChemSpider 2D Image | 2,2'-[(2-Methoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] | C20H18O9

2,2'-[(2-Methoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one]

  • Molecular FormulaC20H18O9
  • Average mass402.352 Da
  • Monoisotopic mass402.095093 Da
  • ChemSpider ID29771860

More details:

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

2,2'-[(2-Methoxyphenyl)methylen]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-on] [German] [ACD/IUPAC Name]
2,2'-[(2-Methoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one] [ACD/IUPAC Name]
2,2'-[(2-Méthoxyphényl)méthylène]bis[3-hydroxy-6-(hydroxyméthyl)-4H-pyran-4-one] [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-[(2-methoxyphenyl)methylene]bis[3-hydroxy-6-(hydroxymethyl)- [ACD/Index Name]
3-hydroxy-2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-(2-methoxyphenyl)methyl]-6-(hydroxymethyl)pyran-4-one
3-HYDROXY-2-{[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXO-4H-PYRAN-2-YL](2-METHOXYPHENYL)METHYL}-6-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
3-HYDROXY-2-{[3-HYDROXY-6-(HYDROXYMETHYL)-4-OXOPYRAN-2-YL](2-METHOXYPHENYL)METHYL}-6-(HYDROXYMETHYL)PYRAN-4-ONE
95800-90-1 [RN]
MCULE-6487930904
MolPort-028-855-689

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 768.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.3±3.0 kJ/mol
    Flash Point: 276.2±26.4 °C
    Index of Refraction: 1.687
    Molar Refractivity: 97.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): -0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.06
    ACD/LogD (pH 7.4): -0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 16.88
    Polar Surface Area: 143 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 81.7±3.0 dyne/cm
    Molar Volume: 255.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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