ChemSpider 2D Image | 4-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)benzoic acid | C17H12O6

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

  • Molecular FormulaC17H12O6
  • Average mass312.274 Da
  • Monoisotopic mass312.063385 Da
  • ChemSpider ID32511008

More details:

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

4-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(6-Oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(6-oxo-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromén-8-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-(7,8-dihydro-6-oxo-6H-1,3-dioxolo[4,5-g][1]benzopyran-8-yl)- [ACD/Index Name]
1630861-18-5 [RN]
4-(6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-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: 487.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.4±3.0 kJ/mol
    Flash Point: 183.0±22.2 °C
    Index of Refraction: 1.655
    Molar Refractivity: 77.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.71
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 4.35
    ACD/KOC (pH 5.5): 41.65
    ACD/LogD (pH 7.4): 0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.18
    Polar Surface Area: 82 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 63.7±3.0 dyne/cm
    Molar Volume: 211.7±3.0 cm3

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