ChemSpider 2D Image | Methyl 2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate | C21H28O5

Methyl 2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID21667701

More details:

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

2-[(3-Hexyl-4,8-diméthyl-2-oxo-2H-chromén-7-yl)oxy]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoate [ACD/IUPAC Name]
Methyl-2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-, methyl ester [ACD/Index Name]
2-(3-Hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yloxy)-propionic acid methyl ester
438030-28-5 [RN]
methyl 2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoate
methyl 2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yloxy)propanoate
MFCD03029284

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 481.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 208.2±28.8 °C
    Index of Refraction: 1.514
    Molar Refractivity: 99.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.70
    ACD/LogD (pH 5.5): 5.71
    ACD/BCF (pH 5.5): 12785.50
    ACD/KOC (pH 5.5): 30281.46
    ACD/LogD (pH 7.4): 5.71
    ACD/BCF (pH 7.4): 12785.50
    ACD/KOC (pH 7.4): 30281.46
    Polar Surface Area: 62 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 330.3±3.0 cm3

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