ChemSpider 2D Image | 3-(5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl)-4H-chromen-4-one | C15H16O5

3-(5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl)-4H-chromen-4-one

  • Molecular FormulaC15H16O5
  • Average mass276.284 Da
  • Monoisotopic mass276.099762 Da
  • ChemSpider ID21587853

More details:

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

3-(5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl)-4H-chromen-4-one
3-[5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-4H-1-benzopyran-4-one
3-[5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[5-(Hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-4H-chromen-4-one [ACD/IUPAC Name]
3-[5-(Hydroxyméthyl)-5-méthyl-1,3-dioxan-2-yl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]- [ACD/Index Name]
924843-61-8 [RN]
3-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]chromen-4-one
4H-1-benzopyran-4-one, 3-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]
MFCD08282842 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 425.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±3.0 kJ/mol
    Flash Point: 159.1±22.2 °C
    Index of Refraction: 1.570
    Molar Refractivity: 70.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.59
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.35
    ACD/KOC (pH 5.5): 130.67
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.35
    ACD/KOC (pH 7.4): 130.67
    Polar Surface Area: 65 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 214.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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