ChemSpider 2D Image | 2-((4'-(tert-Butyl)-4-oxospiro[chroman-2,1'-cyclohexan]-7-yl)oxy)acetic acid | C20H26O5

2-((4'-(tert-Butyl)-4-oxospiro[chroman-2,1'-cyclohexan]-7-yl)oxy)acetic acid

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID31022317

More details:

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

{[4'-(2-Methyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acetic acid [ACD/IUPAC Name]
{[4'-(2-Methyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
1217602-92-0 [RN]
2-((4'-(tert-Butyl)-4-oxospiro[chroman-2,1'-cyclohexan]-7-yl)oxy)acetic acid
Acetic acid, 2-[[4'-(1,1-dimethylethyl)-3,4-dihydro-4-oxospiro[2H-1-benzopyran-2,1'-cyclohexan]-7-yl]oxy]- [ACD/Index Name]
Acide {[4'-(2-méthyl-2-propanyl)-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl]oxy}acétique [French] [ACD/IUPAC Name]
[(4'-tert-butyl-4-oxo-3,4-dihydrospiro[chromene-2,1'-cyclohexan]-7-yl)oxy]acetic acid
[(4-tert-butyl-4-oxo-3,4-dihydrospiro[chromene-2,1-cyclohexan]-7-yl)oxy]acetic acid
1175755-09-5 [RN]
2-(4-tert-butyl-4-oxo-spiro[chromane-2,1-cyclohexane]-7-yl)oxyacetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 523.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 183.5±23.6 °C
    Index of Refraction: 1.562
    Molar Refractivity: 92.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.95
    ACD/LogD (pH 5.5): 2.31
    ACD/BCF (pH 5.5): 8.75
    ACD/KOC (pH 5.5): 33.88
    ACD/LogD (pH 7.4): 1.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.97
    Polar Surface Area: 73 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 50.2±5.0 dyne/cm
    Molar Volume: 285.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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