ChemSpider 2D Image | 3-Hexyl-5-hydroxy-4,7-dimethyl-2H-chromen-2-one | C17H22O3

3-Hexyl-5-hydroxy-4,7-dimethyl-2H-chromen-2-one

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID21858861

More details:

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

1092331-85-5 [RN]
2H-1-Benzopyran-2-one, 3-hexyl-5-hydroxy-4,7-dimethyl- [ACD/Index Name]
3-Hexyl-5-hydroxy-4,7-dimethyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-Hexyl-5-hydroxy-4,7-dimethyl-2H-chromen-2-one [ACD/IUPAC Name]
3-Hexyl-5-hydroxy-4,7-diméthyl-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-hexyl-5-hydroxy-4,7-dimethylchromen-2-one
3-Hexyl-5-hydroxy-4,7-dimethyl-chromen-2-one
AGN-PC-05SVBN
AKOS005175208
ALBB-015659
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 431.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 177.5±21.5 °C
    Index of Refraction: 1.541
    Molar Refractivity: 79.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 6.33
    ACD/LogD (pH 5.5): 5.49
    ACD/BCF (pH 5.5): 8824.33
    ACD/KOC (pH 5.5): 23193.69
    ACD/LogD (pH 7.4): 5.37
    ACD/BCF (pH 7.4): 6577.78
    ACD/KOC (pH 7.4): 17288.91
    Polar Surface Area: 47 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 251.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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