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191090-29-6

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Basic Information
CAS No.: 191090-29-6
Name: (S)-(-)-5 5-DIPHENYL-4-METHYL-2-OXAZOLI&
Article Data: 4
Molecular Structure:
Molecular Structure of 191090-29-6 ((S)-(-)-5 5-DIPHENYL-4-METHYL-2-OXAZOLI&)
Formula: C16H15NO2
Molecular Weight: 253.3
Synonyms: 2-Oxazolidinone,4-methyl-5,5-diphenyl-, (S)-;(-)-5,5-Diphenyl-4-methyl-2-oxazolidinone;(4S)-Methyl-5,5-diphenyloxazolidin-2-one;
Density: 1.156 g/cm3
Melting Point: 263-267 °C(lit.)
Boiling Point: 464.953 °C at 760 mmHg
Flash Point: 234.995 °C
PSA: 41.82000
LogP: 2.69850
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Specification

The 2-Oxazolidinone,4-methyl-5,5-diphenyl-, (4S)-, with the CAS registry number 191090-29-6, has the systematic name of (4S)-4-methyl-5,5-diphenyl-1,3-oxazolidin-2-one. It belongs to the following product categories: Asymmetric Synthesis; Chiral Auxiliaries; Oxazolidinone Derivatives. And the molecular formula of this chemical is C16H15NO2.

The physical properties of 2-Oxazolidinone,4-methyl-5,5-diphenyl-, (4S)- are as following: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 278; (6)ACD/BCF (pH 7.4): 278; (7)ACD/KOC (pH 5.5): 1956; (8)ACD/KOC (pH 7.4): 1956; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 72.421 cm3; (15)Molar Volume: 219.081 cm3; (16)Polarizability: 28.71×10-24cm3; (17)Surface Tension: 41.557 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 234.995 °C; (20)Enthalpy of Vaporization: 72.647 kJ/mol; (21)Boiling Point: 464.953 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3OC(c1ccccc1)(c2ccccc2)[C@@H](N3)C
(2)InChI: InChI=1/C16H15NO2/c1-12-16(19-15(18)17-12,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,17,18)/t12-/m0/s1
(3)InChIKey: URUDVMKJOXKZHR-LBPRGKRZBC