ChemSpider 2D Image | 1-({[(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-piperidinecarboxylic acid | C24H21NO8

1-({[(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-piperidinecarboxylic acid

  • Molecular FormulaC24H21NO8
  • Average mass451.425 Da
  • Monoisotopic mass451.126709 Da
  • ChemSpider ID22879897

  • Double-bond stereo - Double-bond stereo

More details:

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

1-({[(2Z)-2-(1,3-Benzodioxol-5-ylmethylen)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-({[(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1-({[(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)piperidine-4-carboxylic acid
4-Piperidinecarboxylic acid, 1-[2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-3-oxo-6-benzofuranyl]oxy]acetyl]- [ACD/Index Name]
Acide 1-(2-{[(2Z)-2-(1,3-benzodioxol-5-ylméthylène)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acétyl)-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)piperidine-4-carboxylic acid
1-[2-(2-Benzo[1,3]dioxol-5-ylmethylene-3-oxo-2,3-dihydro-benzofuran-6-yloxy)-acetyl]-piperidine-4-carboxylic acid
1-[2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetyl]piperidine-4-carboxylic acid
900874-85-3 [RN]
AKOS005506155
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 754.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±3.0 kJ/mol
    Flash Point: 410.4±32.9 °C
    Index of Refraction: 1.673
    Molar Refractivity: 114.3±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 2.18
    ACD/KOC (pH 5.5): 30.18
    ACD/LogD (pH 7.4): -0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 112 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 70.8±3.0 dyne/cm
    Molar Volume: 305.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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