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Search term: OKRUSGBVXGLKGE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(2-Isopropylidene-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl)benzoic acid | C21H16O6

4-(2-Isopropylidene-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl)benzoic acid

  • Molecular FormulaC21H16O6
  • Average mass364.348 Da
  • Monoisotopic mass364.094696 Da
  • ChemSpider ID32512367

More details:

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

4-(2-Isopropyliden-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
4-(2-Isopropylidene-3,7-dioxo-2,3,8,9-tetrahydro-7H-furo[2,3-f]chromen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 4-(2-isopropylidène-3,7-dioxo-2,3,8,9-tétrahydro-7H-furo[2,3-f]chromén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2,3,8,9-tetrahydro-2-(1-methylethylidene)-3,7-dioxo-7H-furo[2,3-f][1]benzopyran-9-yl]- [ACD/Index Name]
1630842-18-0 [RN]
4-(3,7-dioxo-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromen-9-yl)benzoic 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: 557.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±3.0 kJ/mol
    Flash Point: 200.4±23.6 °C
    Index of Refraction: 1.649
    Molar Refractivity: 94.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.10
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 10.01
    ACD/KOC (pH 5.5): 75.38
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.14
    Polar Surface Area: 90 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 60.8±3.0 dyne/cm
    Molar Volume: 259.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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