ChemSpider 2D Image | 4,5,6-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene-1,3(2H)-dione | C21H22O8

4,5,6-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene-1,3(2H)-dione

  • Molecular FormulaC21H22O8
  • Average mass402.395 Da
  • Monoisotopic mass402.131470 Da
  • ChemSpider ID22752564

More details:

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

1H-Indene-1,3(2H)-dione, 4,5,6-trimethoxy-2-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
4,5,6-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-inden-1,3(2H)-dion [German] [ACD/IUPAC Name]
4,5,6-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene-1,3(2H)-dione [ACD/IUPAC Name]
4,5,6-Triméthoxy-2-(3,4,5-triméthoxyphényl)-1H-indène-1,3(2H)-dione [French] [ACD/IUPAC Name]
4,5,6-trimethoxy-2-(3,4,5-trimethoxyphenyl)-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
4,5,6-Trimethoxy-2-(3,4,5-trimethoxy-phenyl)-indan-1,3-dione
4,5,6-trimethoxy-2-(3,4,5-trimethoxyphenyl)indene-1,3-dione
4069-77-6 [RN]
MFCD12033843

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 600.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.3±3.0 kJ/mol
    Flash Point: 261.8±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 103.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.57
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 118.63
    ACD/KOC (pH 5.5): 1058.17
    ACD/LogD (pH 7.4): 2.71
    ACD/BCF (pH 7.4): 56.39
    ACD/KOC (pH 7.4): 502.97
    Polar Surface Area: 90 Å2
    Polarizability: 40.9±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 319.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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