ChemSpider 2D Image | Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]propanoate | C24H22O9

Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]propanoate

  • Molecular FormulaC24H22O9
  • Average mass454.426 Da
  • Monoisotopic mass454.126373 Da
  • ChemSpider ID32512382

More details:

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

2-Naphthalenepropanoic acid, 1,4-dihydro-3-hydroxy-β-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-1,4-dioxo-, methyl ester [ACD/Index Name]
3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-3-[3-méthoxy-4-(2-méthoxy-2-oxoéthoxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]propanoat [German] [ACD/IUPAC Name]
1630873-81-2 [RN]
methyl 3-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-(3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl)propanoate
MolPort-035-702-021

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 619.0±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: 210.3±25.0 °C
    Index of Refraction: 1.601
    Molar Refractivity: 113.7±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 3.35
    ACD/KOC (pH 5.5): 35.51
    ACD/LogD (pH 7.4): -0.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 45.1±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 332.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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