ChemSpider 2D Image | 9-Azatetracyclo[4.4.0.0~2,4~.0~3,7~]deca-1,4,6,8-tetraene | C9H5N

9-Azatetracyclo[4.4.0.02,4.03,7]deca-1,4,6,8-tetraene

  • Molecular FormulaC9H5N
  • Average mass127.143 Da
  • Monoisotopic mass127.042198 Da
  • ChemSpider ID24185269

More details:

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

4,6,7-Metheno-1H-cyclopenta[c]pyridine [ACD/Index Name]
9-Azatetracyclo[4.4.0.02,4.03,7]deca-1,4,6,8-tetraen [German] [ACD/IUPAC Name]
9-Azatetracyclo[4.4.0.02,4.03,7]deca-1,4,6,8-tetraene [ACD/IUPAC Name]
9-Azatétracyclo[4.4.0.02,4.03,7]déca-1,4,6,8-tétraène [French] [ACD/IUPAC Name]
115732-97-3 [RN]
1H-4,6,7-(epimethanetriyl)cyclopenta[c]pyridine
4,6,7-Metheno-1H-cyclopenta[c]pyridine (9CI)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 485.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 240.2±29.6 °C
Index of Refraction: 2.138
Molar Refractivity: 36.9±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 39.36
Polar Surface Area: 12 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 79.2±7.0 dyne/cm
Molar Volume: 67.8±7.0 cm3

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