ChemSpider 2D Image | Methyl 4-[5-(4',8'-dioxo-3',4',9',10'-tetrahydro-8'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromen]-10'-yl)-2-furyl]benzoate | C29H26O7

Methyl 4-[5-(4',8'-dioxo-3',4',9',10'-tetrahydro-8'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromen]-10'-yl)-2-furyl]benzoate

  • Molecular FormulaC29H26O7
  • Average mass486.513 Da
  • Monoisotopic mass486.167847 Da
  • ChemSpider ID34496950

More details:

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

Benzoic acid, 4-[5-(3,4,9,10-tetrahydro-4,8-dioxospiro[2H,8H-benzo[1,2-b:3,4-b']dipyran-2,1'-cyclohexan]-10-yl)-2-furanyl]-, methyl ester [ACD/Index Name]
Methyl 4-[5-(4',8'-dioxo-3',4',9',10'-tetrahydro-8'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromen]-10'-yl)-2-furyl]benzoate [ACD/IUPAC Name]
1676081-88-1 [RN]
methyl 4-(5-(4',8'-dioxo-4',8',9',10'-tetrahydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromen]-10'-yl)furan-2-yl)benzoate
methyl 4-[5-(4,8-dioxospiro[9,10-dihydro-3H-pyrano[2,3-f]chromene-2,1'-cyclohexane]-10-yl)furan-2-yl]benzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 648.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.6±3.0 kJ/mol
    Flash Point: 346.1±31.5 °C
    Index of Refraction: 1.644
    Molar Refractivity: 128.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.24
    ACD/LogD (pH 5.5): 5.99
    ACD/BCF (pH 5.5): 21195.86
    ACD/KOC (pH 5.5): 43482.71
    ACD/LogD (pH 7.4): 5.99
    ACD/BCF (pH 7.4): 21195.86
    ACD/KOC (pH 7.4): 43482.71
    Polar Surface Area: 92 Å2
    Polarizability: 50.8±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 354.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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