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73204-07-6

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Basic Information
CAS No.: 73204-07-6
Name: 4-(4-OXOCYCLOHEXYL)BENZONITRILE
Article Data: 4
Molecular Structure:
Molecular Structure of 73204-07-6 (4-(4-OXOCYCLOHEXYL)BENZONITRILE)
Formula: C13H13 N O
Molecular Weight: 199.252
Synonyms: 4-(p-Cyanophenyl)cyclohexanone
Density: 1.12g/cm3
Boiling Point: 367.3°C at 760 mmHg
Flash Point: 176°C
PSA: 40.86000
LogP: 2.78498
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Chemistry


Systematic Name: 4-(4-Oxocyclohexyl)benzonitrile 
Empirical Formula: C13H13NO
Molecular Weight: 199.2484
Nominal Mass: 199 
Average Mass: 199.2484
Monoisotopic Mass: 199.099714
SMILES: c1cc(ccc1C#N)C2CCC(=O)CC2
InChI: InChI=1/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2 
InChIKey: XFRVACCGEKPJDI-UHFFFAOYAW 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1 
Index of Refraction: 1.557
Molar Refractivity: 57.15 cm3
Molar Volume: 177.3 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.12 g/cm3
Flash Point: 176 °C
Enthalpy of Vaporization: 61.39 kJ/mol
Boiling Point: 367.3 °C at 760 mmHg
Vapour Pressure of 4-(4-Oxocyclohexyl)benzonitrile (CAS NO.73204-07-6): 1.38E-05 mmHg at 25 °C

Specification

  4-(4-Oxocyclohexyl)benzonitrile (CAS NO.73204-07-6), its Synonyms are 4-(4-Cyanophenyl) cyclohexanone ; 4-(4-Oxocyclohexyl)-benzonitrile ; Benzonitrile, 4-(4-oxocyclohexyl)- .