Molecular Structure of (3R,4S)-1-Benzoyl-3-acetoxy-4-phenyl-2-azetidinone (CAS No.146924-93-8):
Molecular Formula: C18H15NO4
Molecular Weight: 309.316
CAS No: 146924-93-8
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 63.68 Å2
Index of Refraction: 1.627
Molar Refractivity: 83.129 cm3
Molar Volume: 234.505 cm3
Surface Tension: 57.756 dyne/cm
Density: 1.319 g/cm3
Flash Point: 229.145 °C
Enthalpy of Vaporization: 71.501 kJ/mol
Boiling Point: 455.28 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C18H15NO4/c1-12(20)23-16-15(13-8-4-2-5-9-13)19(18(16)22)17(21)14-10-6-3-7-11-14/h2-11,15-16H,1H3/t15-,16+/m0/s1
InChIKey: IYBNNNDZBNQFRB-JKSUJKDBBB
Std. InChI: InChI=1S/C18H15NO4/c1-12(20)23-16-15(13-8-4-2-5-9-13)19(18(16)22)17(21)14-10-6-3-7-11-14/h2-11,15-16H,1H3/t15-,16+/m0/s1
Std. InChIKey: IYBNNNDZBNQFRB-JKSUJKDBSA-N
(3R,4S)-1-Benzoyl-3-acetoxy-4-phenyl-2-azetidinone (CAS No.146924-93-8), its synonyms are (3R,4S)-1-Benzoyl-2-oxo-4-phenylazetidin-3-yl acetate ; 2-Azetidinone, 3-(acetyloxy)-1-benzoyl-4-phenyl-, (3R,4S)- ; (3R,4S)-1-Benzoyl-3-acetoxy-4-phenyl-2-azetidinone .
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