ChemSpider 2D Image | {4-[1-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid | C19H20O9

{4-[1-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID29771924

More details:

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

{4-[1-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
{4-[1-(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[4-(carboxymethoxy)-3-methoxyphenyl]-3-hydroxy-6-methyl-4-oxo-, α-methyl ester [ACD/Index Name]
Acide {4-[1-(3-hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-3-méthoxy-3-oxopropyl]-2-méthoxyphénoxy}acétique [French] [ACD/IUPAC Name]
1574410-66-4 [RN]
2-(4-(1-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)acetic acid
2-{4-[1-(3-HYDROXY-6-METHYL-4-OXO-4H-PYRAN-2-YL)-3-METHOXY-3-OXOPROPYL]-2-METHOXYPHENOXY}ACETIC ACID
4-[1-(3-HYDROXY-6-METHYL-4-OXOPYRAN-2-YL)-3-METHOXY-3-OXOPROPYL]-2-METHOXYPHENOXYACETIC ACID

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 619.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 220.4±25.0 °C
    Index of Refraction: 1.584
    Molar Refractivity: 94.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): -1.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 129 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 282.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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