ChemSpider 2D Image | 1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate | C30H27NO7

1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate

  • Molecular FormulaC30H27NO7
  • Average mass513.538 Da
  • Monoisotopic mass513.178772 Da
  • ChemSpider ID4239840

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

1-(4-Methylphenyl)-1-oxo-2-propanyl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate [ACD/IUPAC Name]
1-(4-Methylphenyl)-1-oxo-2-propanyl-2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolincarboxylat [German] [ACD/IUPAC Name]
1-(4-Methylphenyl)-1-oxopropan-2-yl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxoisoindoline-5-carboxylate
1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-[4-[(2-methylpropoxy)carbonyl]phenyl]-1,3-dioxo-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester [ACD/Index Name]
2-[4-(Isobutoxycarbonyl)phényl]-1,3-dioxo-5-isoindolinecarboxylate de 1-(4-méthylphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[4-(2-methylpropoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylate
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[4-(2-methylpropoxycarbonyl)phenyl]-1,3-dioxoisoindole-5-carboxylate
1-(4-methylphenyl)-1-oxopropan-2-yl 2-{4-[(2-methylpropoxy)carbonyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxo-5-isoindolinecarboxylate
1-methyl-2-(4-methylphenyl)-2-oxoethyl 2-[4-(isobutoxycarbonyl)phenyl]-1,3-dioxoisoindoline-5-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-919/15330013 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 695.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 374.4±34.3 °C
    Index of Refraction: 1.606
    Molar Refractivity: 138.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.05
    ACD/LogD (pH 5.5): 5.29
    ACD/BCF (pH 5.5): 6162.73
    ACD/KOC (pH 5.5): 17960.22
    ACD/LogD (pH 7.4): 5.29
    ACD/BCF (pH 7.4): 6162.73
    ACD/KOC (pH 7.4): 17960.22
    Polar Surface Area: 107 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 401.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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