ChemSpider 2D Image | 3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methyl-1-piperidiniumyl)methyl]-4-oxo-4H-chromen-7-olate | C29H33NO7

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methyl-1-piperidiniumyl)methyl]-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC29H33NO7
  • Average mass507.575 Da
  • Monoisotopic mass507.225708 Da
  • ChemSpider ID2521656

More details:

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

3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methyl-1-piperidiniumyl)methyl]-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methyl-1-piperidiniumyl)methyl]-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(éthoxycarbonyl)-6-éthyl-8-[(3-méthyl-1-pipéridiniumyl)méthyl]-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-2-carboxylic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-4-oxo-, ethyl ester
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate
Piperidinium, 1-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-8-yl]methyl]-3-methyl-, inner salt [ACD/Index Name]
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethoxycarbonyl)-6-ethyl-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-6-ethyl-7-hydroxy-8-(3-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
610759-61-0 [RN]
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point: 665.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.3±3.0 kJ/mol
    Flash Point: 356.1±31.5 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 4.87
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 2.18
    ACD/KOC (pH 5.5): 10.33
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 9.50
    ACD/KOC (pH 7.4): 45.00
    Polar Surface Area: 99 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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