Found 5 results

Search term: JKYNCKNIVHDOKU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3aS,7aS)-Octahydro-1H-isoindol-1-one | C8H13NO

(3aS,7aS)-Octahydro-1H-isoindol-1-one

  • Molecular FormulaC8H13NO
  • Average mass139.195 Da
  • Monoisotopic mass139.099716 Da
  • ChemSpider ID62932284

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-Octahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
(3aS,7aS)-Octahydro-1H-isoindol-1-one [ACD/IUPAC Name]
(3aS,7aS)-Octahydro-1H-isoindol-1-one [French] [ACD/IUPAC Name]
1H-Isoindol-1-one, octahydro-, (3aS,7aS)- [ACD/Index Name]
84585-75-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 308.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 176.8±4.2 °C
Index of Refraction: 1.489
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.92
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.92
Polar Surface Area: 29 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

Click to predict properties on the Chemicalize site


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