ChemSpider 2D Image | (3R)-6'-Acetyl-1-methylspiro[indole-3,10'-[4]oxa[12]azatricyclo[7.2.1.0~2,7~]dodec[5]en]-2(1H)-one | C20H22N2O3

(3R)-6'-Acetyl-1-methylspiro[indole-3,10'-[4]oxa[12]azatricyclo[7.2.1.02,7]dodec[5]en]-2(1H)-one

  • Molecular FormulaC20H22N2O3
  • Average mass338.400 Da
  • Monoisotopic mass338.163055 Da
  • ChemSpider ID74181313

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(3R)-6'-Acetyl-1-methylspiro[indole-3,10'-[4]oxa[12]azatricyclo[7.2.1.02,7]dodec[5]en]-2(1H)-one [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.72
Polar Surface Area: 59 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 253.7±5.0 cm3

Click to predict properties on the Chemicalize site


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