ChemSpider 2D Image | 2-{2-[(4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetoxy}-1H-isoindole-1,3(2H)-dione | C13H8N4O7

2-{2-[(4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetoxy}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC13H8N4O7
  • Average mass332.225 Da
  • Monoisotopic mass332.039307 Da
  • ChemSpider ID71100866

More details:






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

1H-Isoindole-1,3(2H)-dione, 2-[[2-[(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)oxy]acetyl]oxy]- [ACD/Index Name]
2-{2-[(4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetoxy}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{2-[(4,6-Dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetoxy}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{2-[(4,6-Dioxo-1,4,5,6-tétrahydro-1,3,5-triazin-2-yl)oxy]acétoxy}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-[(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetate
2248289-71-4 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.768
Molar Refractivity: 75.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.97
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 87.1±7.0 dyne/cm
Molar Volume: 180.7±7.0 cm3

Click to predict properties on the Chemicalize site






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