ChemSpider 2D Image | trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid | C24H31NO6

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

  • Molecular FormulaC24H31NO6
  • Average mass429.506 Da
  • Monoisotopic mass429.215149 Da
  • ChemSpider ID21531950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide trans-4-[({2-[(4-butyl-7-méthyl-2-oxo-2H-chromén-5-yl)oxy]acétyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[2-[(4-butyl-7-methyl-2-oxo-2H-1-benzopyran-5-yl)oxy]acetyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[({[(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid [ACD/IUPAC Name]
1173688-18-0 [RN]
4-[[[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
4-{[2-(4-Butyl-7-methyl-2-oxo-2H-chromen-5-yloxy)-acetylamino]-methyl}-cyclohexanecarboxylic acid
4-{[2-(4-butyl-7-methyl-2-oxochromen-5-yloxy)acetylamino]methyl}cyclohexanecarboxylic acid
AC1LXBA2
AGN-PC-0K9044
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 704.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.3±3.0 kJ/mol
    Flash Point: 379.9±32.9 °C
    Index of Refraction: 1.550
    Molar Refractivity: 114.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 4.35
    ACD/LogD (pH 5.5): 3.39
    ACD/BCF (pH 5.5): 147.24
    ACD/KOC (pH 5.5): 754.06
    ACD/LogD (pH 7.4): 1.61
    ACD/BCF (pH 7.4): 2.38
    ACD/KOC (pH 7.4): 12.22
    Polar Surface Area: 102 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 47.0±3.0 dyne/cm
    Molar Volume: 359.6±3.0 cm3

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