ChemSpider 2D Image | trans-4-({[(5,7-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexanecarboxylic acid | C22H27NO7

trans-4-({[(5,7-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexanecarboxylic acid

  • Molecular FormulaC22H27NO7
  • Average mass417.452 Da
  • Monoisotopic mass417.178741 Da
  • ChemSpider ID21532044

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-({[2-(5,7-diméthoxy-4-méthyl-2-oxo-2H-chromén-3-yl)acétyl]amino}méthyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[2-(5,7-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-({[(5,7-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-({[(5,7-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}methyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
1212334-98-9 [RN]
4-{[2-(5,7-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-acetylamino]-methyl}-cyclohexanecarboxylic acid
4-{[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetylamino]methyl}cyclohexanecarboxylic acid

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 702.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.9±3.0 kJ/mol
    Flash Point: 378.5±32.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 107.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.33
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 13.59
    ACD/KOC (pH 5.5): 137.28
    ACD/LogD (pH 7.4): 0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.23
    Polar Surface Area: 111 Å2
    Polarizability: 42.5±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 335.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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