ChemSpider 2D Image | 3-[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid | C24H20O7

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

  • Molecular FormulaC24H20O7
  • Average mass420.411 Da
  • Monoisotopic mass420.120911 Da
  • ChemSpider ID24601570

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-methyl-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-methyl-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-methyl-7-oxo- [ACD/Index Name]
Acide 3-[3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-5-méthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl]propanoïque [French] [ACD/IUPAC Name]
1190243-78-7 [RN]
3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]propanoic acid
3-[3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-propionic acid
AGN-PC-07CTKD
AKOS016377017
MCULE-9719786111
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 667.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 103.1±3.0 kJ/mol
    Flash Point: 357.6±31.5 °C
    Index of Refraction: 1.627
    Molar Refractivity: 110.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.54
    ACD/LogD (pH 5.5): 3.00
    ACD/BCF (pH 5.5): 58.81
    ACD/KOC (pH 5.5): 299.51
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.81
    Polar Surface Area: 95 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 53.6±3.0 dyne/cm
    Molar Volume: 310.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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