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1226-26-2

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Basic Information
CAS No.: 1226-26-2
Name: 5-Phenoxymethyl-3-phenyl-2-oxazolidone
Article Data: 30
Molecular Structure:
Molecular Structure of 1226-26-2 (5-Phenoxymethyl-3-phenyl-2-oxazolidone)
Formula: C16H15NO3
Molecular Weight: 269.3
Synonyms: 3-Phenyl-5-phenoxymethyl-2-oxazolidone;5-(phenoxymethyl)-3-phenyl-1,3-oxazolidin-2-one;5-Phenoxymethyl-3-phenyl-2-oxazolidone;5-Phenoxymethyl-3-phenyloxazolidin-2-one;5-(phenoxymethyl)-3-phenyl-1,3-oxazolidin-2-one;
Density: 1.218 g/cm3
Boiling Point: 400.8 °C at 760 mmHg
Flash Point: 196.2 °C
PSA: 38.77000
LogP: 3.15580
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Specification

The 2-Oxazolidinone,5-(phenoxymethyl)-3-phenyl-, with the CAS registry number 1226-26-2, has the systematic name of 5-(phenoxymethyl)-3-phenyl-1,3-oxazolidin-2-one. It is also called 3-Phenyl-5-phenoxymethyl-2-oxazolidinone. And the molecular formula of this chemical is C16H15NO3.

The physical properties of 2-Oxazolidinone,5-(phenoxymethyl)-3-phenyl- are as following: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 383.7; (6)ACD/BCF (pH 7.4): 383.7; (7)ACD/KOC (pH 5.5): 2461.66; (8)ACD/KOC (pH 7.4): 2461.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 74.52 cm3; (15)Molar Volume: 220.9 cm3; (16)Polarizability: 29.54×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 196.2 °C; (20)Enthalpy of Vaporization: 65.17 kJ/mol; (21)Boiling Point: 400.8 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC(COc1ccccc1)CN2c3ccccc3
(2)InChI: InChI=1/C16H15NO3/c18-16-17(13-7-3-1-4-8-13)11-15(20-16)12-19-14-9-5-2-6-10-14/h1-10,15H,11-12H2
(3)InChIKey: TVCILYMEQCWTGP-UHFFFAOYAU