ChemSpider 2D Image | 3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol | C12H16O6

3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol

  • Molecular FormulaC12H16O6
  • Average mass256.252 Da
  • Monoisotopic mass256.094696 Da
  • ChemSpider ID22336943

More details:

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

1,2-Propanediol, 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)- [ACD/Index Name]
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propandiol [German] [ACD/IUPAC Name]
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-1,2-propanediol [ACD/IUPAC Name]
3-(6,7-Diméthoxy-1,3-benzodioxol-5-yl)-1,2-propanediol [French] [ACD/IUPAC Name]
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
3-(6,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)propane-1,2-diol
3-(6,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-propane-1,2-diol
55932-45-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 415.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 205.0±27.3 °C
    Index of Refraction: 1.565
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.36
    ACD/KOC (pH 5.5): 43.45
    ACD/LogD (pH 7.4): 0.48
    ACD/BCF (pH 7.4): 1.36
    ACD/KOC (pH 7.4): 43.45
    Polar Surface Area: 77 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 53.6±3.0 dyne/cm
    Molar Volume: 193.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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