ChemSpider 2D Image | 2-((5-Oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)isoindoline-1,3-dione | C11H8N4O3

2-((5-Oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)isoindoline-1,3-dione

  • Molecular FormulaC11H8N4O3
  • Average mass244.206 Da
  • Monoisotopic mass244.059647 Da
  • ChemSpider ID29372594

More details:

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

1352536-79-8 [RN]
1H-Isoindole-1,3(2H)-dione, 2-[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]- [ACD/Index Name]
2-((5-Oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)isoindoline-1,3-dione
2-[(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)méthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(5-Oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylmethyl)-isoindole-1,3-dione
2-[(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]isoindole-1,3-dione
AKOS015830691
MCULE-5171042574
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.818
    Molar Refractivity: 61.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.06
    ACD/LogD (pH 5.5): -0.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 21.73
    ACD/LogD (pH 7.4): -0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 14.40
    Polar Surface Area: 91 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 82.7±7.0 dyne/cm
    Molar Volume: 141.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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