ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxyphenyl)propanoate | C19H22O6

Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxyphenyl)propanoate

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID29772416

More details:

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

3-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-methyl-β-[4-(1-methylethoxy)phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(4-isopropoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574473-17-8 [RN]
METHYL 3-(3-HYDROXY-6-METHYL-4-OXO-4H-PYRAN-2-YL)-3-[4-(PROPAN-2-YLOXY)PHENYL]PROPANOATE
METHYL 3-(3-HYDROXY-6-METHYL-4-OXOPYRAN-2-YL)-3-(4-ISOPROPOXYPHENYL)PROPANOATE
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 525.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 185.8±23.6 °C
    Index of Refraction: 1.561
    Molar Refractivity: 91.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.45
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 55.31
    ACD/KOC (pH 5.5): 614.79
    ACD/LogD (pH 7.4): 2.51
    ACD/BCF (pH 7.4): 45.06
    ACD/KOC (pH 7.4): 500.92
    Polar Surface Area: 82 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 281.0±3.0 cm3

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