ChemSpider 2D Image | 2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione | C14H15NO3

2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione

  • Molecular FormulaC14H15NO3
  • Average mass245.274 Da
  • Monoisotopic mass245.105194 Da
  • ChemSpider ID24593876

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-(trans-4-hydroxycyclohexyl)- [ACD/Index Name]
2-(trans-4-Hydroxycyclohexyl)-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-(trans-4-Hydroxycyclohexyl)-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
99337-98-1 [RN]
trans-2-(4-Hydroxy-cyclohexyl)-isoindole-1,3-dione
[99337-98-1] [RN]
2-((1r,4r)-4-hydroxycyclohexyl)isoindoline-1,3-dione
2-[(1r,4r)-4-hydroxycyclohexyl]-2,3-dihydro-1H-isoindole-1,3-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 410.1±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 201.8±26.8 °C
    Index of Refraction: 1.643
    Molar Refractivity: 64.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.79
    ACD/BCF (pH 5.5): 13.57
    ACD/KOC (pH 5.5): 225.10
    ACD/LogD (pH 7.4): 1.79
    ACD/BCF (pH 7.4): 13.57
    ACD/KOC (pH 7.4): 225.10
    Polar Surface Area: 58 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 66.5±3.0 dyne/cm
    Molar Volume: 179.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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