ChemSpider 2D Image | 2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl](3,3,3-~2~H_3_)propanoic acid | C17H12D3NO3

2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl](3,3,3-2H3)propanoic acid

  • Molecular FormulaC17H12D3NO3
  • Average mass284.324 Da
  • Monoisotopic mass284.124023 Da
  • ChemSpider ID48061383

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl](3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
2-[4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl](3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phényl](3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-(methyl-d3)- [ACD/Index Name]
1216524-74-1 [RN]
3,3,3-trideuterio-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 9.74
ACD/KOC (pH 5.5): 87.60
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 58 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 215.0±3.0 cm3

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