ChemSpider 2D Image | 5-Azatetracyclo[4.4.0.0~2,8~.0~3,7~]deca-1(10),3,6,8-tetraene | C9H5N

5-Azatetracyclo[4.4.0.02,8.03,7]deca-1(10),3,6,8-tetraene

  • Molecular FormulaC9H5N
  • Average mass127.143 Da
  • Monoisotopic mass127.042198 Da
  • ChemSpider ID23978255

More details:

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

5-Azatetracyclo[4.4.0.02,8.03,7]deca-1(10),3,6,8-tetraen [German] [ACD/IUPAC Name]
5-Azatetracyclo[4.4.0.02,8.03,7]deca-1(10),3,6,8-tetraene [ACD/IUPAC Name]
5-Azatétracyclo[4.4.0.02,8.03,7]déca-1(10),3,6,8-tétraène [French] [ACD/IUPAC Name]
5-Azatetracyclo[4.4.0.02,8.03,7]deca-3,6,8,10-tetraene [ACD/Index Name]
1H-3,4,7-(epimethanetriyl)indole
207497-88-9 [RN]
3,4,7-Metheno-1H-indole
3,4,7-Metheno-1H-indole (9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 443.6±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 186.5±11.3 °C
Index of Refraction: 1.871
Molar Refractivity: 37.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 120.35
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.66
ACD/KOC (pH 7.4): 120.35
Polar Surface Area: 16 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 81.4±5.0 cm3

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