Molecular Structure of 2-(4-Acetoxyphenyl)benzothiophene (CAS No.132932-62-8):
Molecular Formula: C16H12OS
Molecular Weight: 268.3303
CAS No: 132932-62-8
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 54.54 Å2
Index of Refraction: 1.646
Molar Refractivity: 78.413 cm3
Molar Volume: 215.942 cm3
Surface Tension: 48.254 dyne/cm
Density: 1.243 g/cm3
Flash Point: 213.606 °C
Enthalpy of Vaporization: 68.491 kJ/mol
Boiling Point: 429.586 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C16H12OS/c1-11(17)18-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChIKey: DHRGTVQDDWWSMS-UHFFFAOYAI
Std. InChI: InChI=1S/C16H12OS/c1-11(17)18-14-8-6-12(7-9-14)16-10-13-4-2-3-5-15(13)19-16/h2-10H,1H3
Std. InChIKey: DHRGTVQDDWWSMS-UHFFFAOYSA-N
Systematic Name: 4-(1-Benzothiophen-2-yl)phenyl acetate
2-(4-Acetoxyphenyl)benzothiophene (CAS No.132932-62-8), its synonym is 1-(4-Benzo[b]thien-2-ylphenyl)-ethanone .
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