Molecular Structure of 2-Acetyl-4-cyanophenol (CAS No.35794-84-4):
Molecular Formula: C9H7NO2
Molecular Weight: 161.15738
IUPAC Name: 3-Acetyl-4-hydroxybenzonitrile
CAS No: 35794-84-4
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 61.09 Å2
Index of Refraction: 1.578
Molar Refractivity: 42.21 cm3
Molar Volume: 127 cm3
Surface Tension: 58.7 dyne/cm
Density: 1.26 g/cm3
Flash Point: 143.4 °C
Enthalpy of Vaporization: 57.67 kJ/mol
Boiling Point: 313.5 °C at 760 mmHg
Vapour Pressure: 0.000269 mmHg at 25°C
Canonical SMILES: CC(=O)C1=C(C=CC(=C1)C#N)O
InChI: InChI=1S/C9H7NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h2-4,12H,1H3
InChIKey: HSZUUVJFZOGAMB-UHFFFAOYSA-N
Product Categories: Acetylgroup
2-Acetyl-4-cyanophenol (CAS No.35794-84-4), it also can be called 3-Acetyl-4-hydroxybenzonitrile ; Benzonitrile, 3-acetyl-4-hydroxy- .
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