ChemSpider 2D Image | 2-[5-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2-furyl]benzoic acid | C21H14O7

2-[5-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2-furyl]benzoic acid

  • Molecular FormulaC21H14O7
  • Average mass378.332 Da
  • Monoisotopic mass378.073944 Da
  • ChemSpider ID32511706

More details:

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

2-[5-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2-furyl]benzoesäure [German] [ACD/IUPAC Name]
2-[5-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2-furyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[5-(6-oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromén-8-yl)-2-furyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[5-(7,8-dihydro-6-oxo-6H-1,3-dioxolo[4,5-g][1]benzopyran-8-yl)-2-furanyl]- [ACD/Index Name]
1630873-98-1 [RN]
2-[5-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)furan-2-yl]benzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 536.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.5±3.0 kJ/mol
    Flash Point: 278.0±30.1 °C
    Index of Refraction: 1.649
    Molar Refractivity: 94.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 2.45
    ACD/KOC (pH 5.5): 20.51
    ACD/LogD (pH 7.4): 0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.14
    Polar Surface Area: 95 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 60.8±3.0 dyne/cm
    Molar Volume: 259.8±3.0 cm3

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