ChemSpider 2D Image | 3-[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid | C25H22O7

3-[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid

  • Molecular FormulaC25H22O7
  • Average mass434.438 Da
  • Monoisotopic mass434.136566 Da
  • ChemSpider ID24601522

More details:

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

3-[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propansäure [German] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-6-propanoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo- [ACD/Index Name]
Acide 3-[3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-5,9-diméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl]propanoïque [French] [ACD/IUPAC Name]
1190298-09-9 [RN]
3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 672.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.8±3.0 kJ/mol
    Flash Point: 360.6±31.5 °C
    Index of Refraction: 1.621
    Molar Refractivity: 114.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 5.00
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 111.20
    ACD/KOC (pH 5.5): 472.94
    ACD/LogD (pH 7.4): 1.57
    ACD/BCF (pH 7.4): 1.79
    ACD/KOC (pH 7.4): 7.60
    Polar Surface Area: 95 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 326.9±3.0 cm3

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