ChemSpider 2D Image | 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid | C11H8N2O6

2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid

  • Molecular FormulaC11H8N2O6
  • Average mass264.191 Da
  • Monoisotopic mass264.038239 Da
  • ChemSpider ID29373387

More details:

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

18627-61-7 [RN]
2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid [ACD/IUPAC Name]
2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propansäure [German] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-methyl-5-nitro-1,3-dioxo- [ACD/Index Name]
Acide 2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 494.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.9±24.6 °C
Index of Refraction: 1.662
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 83.1±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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