ChemSpider 2D Image | 3-Azatricyclo[5.2.1.0~4,8~]deca-1,4,6,8-tetraene | C9H7N

3-Azatricyclo[5.2.1.04,8]deca-1,4,6,8-tetraene

  • Molecular FormulaC9H7N
  • Average mass129.159 Da
  • Monoisotopic mass129.057846 Da
  • ChemSpider ID23978302

More details:

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

3,5-Methano-1H-cyclopenta[b]pyridine [ACD/Index Name]
3-Azatricyclo[5.2.1.04,8]deca-1,4,6,8-tetraen [German] [ACD/IUPAC Name]
3-Azatricyclo[5.2.1.04,8]deca-1,4,6,8-tetraene [ACD/IUPAC Name]
3-Azatricyclo[5.2.1.04,8]déca-1,4,6,8-tétraène [French] [ACD/IUPAC Name]
125441-36-3 [RN]
1H-3,5-methanocyclopenta[b]pyridine
3,5-Methano-1H-cyclopenta[b]pyridine (9CI)
3,5-Methano-1H-cyclopenta[b]pyridine(9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 490.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 298.0±16.7 °C
Index of Refraction: 1.717
Molar Refractivity: 40.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.61
Polar Surface Area: 12 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 101.6±5.0 cm3

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