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Search term: SOFFEXSHFSGXOE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,2'-[(3,4-Dimethoxyphenyl)methylene]bis(3-hydroxy-6-methyl-4H-pyran-4-one) | C21H20O8

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

  • Molecular FormulaC21H20O8
  • Average mass400.379 Da
  • Monoisotopic mass400.115814 Da
  • ChemSpider ID29770675

More details:

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

2,2'-[(3,4-Dimethoxyphenyl)methylen]bis(3-hydroxy-6-methyl-4H-pyran-4-on) [German] [ACD/IUPAC Name]
2,2'-[(3,4-Dimethoxyphenyl)methylene]bis(3-hydroxy-6-methyl-4H-pyran-4-one) [ACD/IUPAC Name]
2,2'-[(3,4-Diméthoxyphényl)méthylène]bis(3-hydroxy-6-méthyl-4H-pyran-4-one) [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,2'-[(3,4-dimethoxyphenyl)methylene]bis[3-hydroxy-6-methyl- [ACD/Index Name]
1435988-19-4 [RN]
2-[(3,4-dimethoxyphenyl)-(3-hydroxy-6-methyl-4-oxopyran-2-yl)methyl]-3-hydroxy-6-methylpyran-4-one
MCULE-7571006343
MolPort-027-718-716

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 647.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 100.4±3.0 kJ/mol
    Flash Point: 229.8±25.0 °C
    Index of Refraction: 1.634
    Molar Refractivity: 101.1±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 5.24
    ACD/KOC (pH 5.5): 113.81
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 3.73
    ACD/KOC (pH 7.4): 81.07
    Polar Surface Area: 112 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 62.2±3.0 dyne/cm
    Molar Volume: 282.7±3.0 cm3

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