ChemSpider 2D Image | {4-[1-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid | C23H20O9

{4-[1-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid

  • Molecular FormulaC23H20O9
  • Average mass440.400 Da
  • Monoisotopic mass440.110718 Da
  • ChemSpider ID32511661

More details:

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

{4-[1-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}acetic acid [ACD/IUPAC Name]
{4-[1-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-3-methoxy-3-oxopropyl]-2-methoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
2-Naphthalenepropanoic acid, β-[4-(carboxymethoxy)-3-methoxyphenyl]-1,4-dihydro-3-hydroxy-1,4-dioxo-, α-methyl ester [ACD/Index Name]
Acide {4-[1-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-3-méthoxy-3-oxopropyl]-2-méthoxyphénoxy}acétique [French] [ACD/IUPAC Name]
1630831-89-8 [RN]
2-(4-(1-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)acetic 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: 655.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 227.1±25.0 °C
    Index of Refraction: 1.628
    Molar Refractivity: 108.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): -1.54
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.74
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 136 Å2
    Polarizability: 43.2±0.5 10-24cm3
    Surface Tension: 66.9±3.0 dyne/cm
    Molar Volume: 306.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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