ChemSpider 2D Image | [(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-10'-yl)oxy]acetic acid | C20H22O6

[(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-10'-yl)oxy]acetic acid

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID21530500

More details:

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

[(6'-Methyl-8'-oxo-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-10'-yl)oxy]acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[(3,4-dihydro-6-methyl-8-oxospiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexan]-10-yl)oxy]- [ACD/Index Name]
2-((6'-methyl-8'-oxo-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-10'-yl)oxy)acetic acid
2-(6-methyl-8-oxospiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-10-yl)oxyacetic acid
2-(6-methyl-8-oxo-spiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-10-yl)oxyacetic acid
919738-80-0 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 594.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 214.4±23.6 °C
    Index of Refraction: 1.614
    Molar Refractivity: 92.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.94
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 2.37
    ACD/KOC (pH 5.5): 12.71
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 82 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 60.7±5.0 dyne/cm
    Molar Volume: 264.2±5.0 cm3

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