ChemSpider 2D Image | [3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetic acid | C24H20O7

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

  • Molecular FormulaC24H20O7
  • Average mass420.411 Da
  • Monoisotopic mass420.120911 Da
  • ChemSpider ID24601619

More details:

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

[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetic acid [ACD/IUPAC Name]
[3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]essigsäure [German] [ACD/IUPAC Name]
7H-Furo[3,2-g][1]benzopyran-6-acetic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo- [ACD/Index Name]
Acide [3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-5,9-diméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl]acétique [French] [ACD/IUPAC Name]
[3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-acetic acid
1190244-15-5 [RN]
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]acetic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 663.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.5±3.0 kJ/mol
    Flash Point: 355.1±31.5 °C
    Index of Refraction: 1.629
    Molar Refractivity: 110.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 19.92
    ACD/KOC (pH 5.5): 94.99
    ACD/LogD (pH 7.4): 0.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.13
    Polar Surface Area: 95 Å2
    Polarizability: 43.7±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 310.4±3.0 cm3

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