Molecular Structure of 4-(4-Methylphenoxy)benzonitrile (CAS NO.37563-42-1):
Systematic Name: 4-(4-Methylphenoxy)benzonitrile
Molecular Formula: C14H11NO
Molecular Weight: 209.24
CAS Registry Number: 37563-42-1
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Index of Refraction: 1.599
Molar Refractivity: 62.39 cm3
Molar Volume: 182.4 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.14 g/cm3
Flash Point: 142.9 °C
Enthalpy of Vaporization: 58.2 kJ/mol
Boiling Point: 338.7 °C at 760 mmHg
Vapour Pressure: 9.68E-05 mmHg at 25 °C
SMILES: N#Cc2ccc(Oc1ccc(cc1)C)cc2
InChI: InChI=1/C14H11NO/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14/h2-9H,1H3
InChIKey: ISMMAUUEMOWLIC-UHFFFAOYAU
4-(4-Methylphenoxy)benzonitrile (CAS NO.37563-42-1), its Synonyms are Benzonitrile,4-(4-methylphenoxy)- ; 4-(4-Cresyloxy)benzonitrile ; 4-(p-Tolyloxy)benzonitrile ; 4-Cyanophenyl4-methylphenyl ether ; p-(p-Tolyloxy)benzonitrile .
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