ChemSpider 2D Image | (2S)-2-(3,5-Dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)propanoic acid | C12H15NO4

(2S)-2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)propanoic acid

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID25055104

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(2S)-2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-4-yl)propansäure [German] [ACD/IUPAC Name]
4,7-Methano-2H-isoindole-2-acetic acid, octahydro-α-methyl-1,3-dioxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]déc-4-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 247.9±24.0 °C
Index of Refraction: 1.583
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 170.2±3.0 cm3

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