ChemSpider 2D Image | (1E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione | C21H20O6

(1E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

  • Molecular FormulaC21H20O6
  • Average mass368.380 Da
  • Monoisotopic mass368.125977 Da
  • ChemSpider ID57579660

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dion [German] [ACD/IUPAC Name]
(1E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione [ACD/IUPAC Name]
(1E)-1,7-Bis(4-hydroxy-3-méthoxyphényl)-1,6-heptadiène-3,5-dione [French] [ACD/IUPAC Name]
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E)- [ACD/Index Name]
(1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione)
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
1246833-26-0 [RN]
147556-16-9 [RN]
458-37-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CI 75300 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 591.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.5±3.0 kJ/mol
    Flash Point: 208.9±23.6 °C
    Index of Refraction: 1.643
    Molar Refractivity: 104.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.92
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 52.13
    ACD/KOC (pH 5.5): 589.51
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 45.18
    ACD/KOC (pH 7.4): 510.86
    Polar Surface Area: 93 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 54.3±3.0 dyne/cm
    Molar Volume: 287.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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