Found 4 results

Search term: LVVQDBRGDIYKFU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate | C18H16NO3

3-(4-Methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

  • Molecular FormulaC18H16NO3
  • Average mass294.325 Da
  • Monoisotopic mass294.113556 Da
  • ChemSpider ID21205396

  • Charge - Charge

More details:

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

2H-Isoindole-2-propanoic acid, 1,3-dihydro-β-(4-methylphenyl)-1-oxo-, ion(1-) [ACD/Index Name]
3-(4-Methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoat [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [ACD/IUPAC Name]
3-(4-Méthylphényl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 522.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 17.98
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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