ChemSpider 2D Image | 5-Oxo-5H-benzo[7]annulene-6-carbonitrile | C12H7NO

5-Oxo-5H-benzo[7]annulene-6-carbonitrile

  • Molecular FormulaC12H7NO
  • Average mass181.190 Da
  • Monoisotopic mass181.052765 Da
  • ChemSpider ID34219606

More details:

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

5H-Benzocycloheptene-6-carbonitrile, 5-oxo- [ACD/Index Name]
5-Oxo-5H-benzo[7]annulen-6-carbonitril [German] [ACD/IUPAC Name]
5-Oxo-5H-benzo[7]annulene-6-carbonitrile [ACD/IUPAC Name]
5-Oxo-5H-benzo[7]annulène-6-carbonitrile [French] [ACD/IUPAC Name]
1613039-09-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 374.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.5±25.9 °C
Index of Refraction: 1.628
Molar Refractivity: 52.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 304.01
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.65
ACD/KOC (pH 7.4): 304.01
Polar Surface Area: 41 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 146.9±5.0 cm3

Click to predict properties on the Chemicalize site


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