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| CAS No.: | 7480-32-2 |
|---|---|
| Name: | 4-PHENYLOXAZOLIDIN-2-ONE |
| Molecular Structure: | |
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| Formula: | C9H9NO2 |
| Molecular Weight: | 163.176 |
| Synonyms: | (?à)-4-Phenyl-2-oxazolidinone;4-Phenyl-2-oxazolidinone;NSC 409571; |
| Density: | 1.195 g/cm3 |
| Melting Point: | 136.8-137.8 °C |
| Boiling Point: | 407 °C at 760 mmHg |
| Flash Point: | 200 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 38.33000 |
| LogP: | 1.79630 |
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Specification
The 2-Oxazolidinone,4-phenyl- is an organic compound with the formula C9H9NO2. The IUPAC name of this chemical is 4-phenyl-1,3-oxazolidin-2-one. With the CAS registry number 7480-32-2, it is also named as oxazolidin-2-one, (plusmn)-4-phenyl-.
Physical properties about 2-Oxazolidinone,4-phenyl- are: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): 1.39; (3)ACD/LogD (pH 7.4): 1.39; (4)ACD/BCF (pH 5.5): 6.71; (5)ACD/BCF (pH 7.4): 6.71; (6)ACD/KOC (pH 5.5): 136.02; (7)ACD/KOC (pH 7.4): 136.01; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 43.36 cm3; (14)Molar Volume: 136.4 cm3; (15)Polarizability: 17.19×10-24cm3; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.195 g/cm3; (18)Flash Point: 200 °C; (19)Enthalpy of Vaporization: 65.88 kJ/mol; (20)Boiling Point: 407 °C at 760 mmHg; (21)Vapour Pressure: 7.79E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OCC(c1ccccc1)N2
(2)InChI: InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
(3)InChIKey: QDMNNMIOWVJVLY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)
(5)Std. InChIKey: QDMNNMIOWVJVLY-UHFFFAOYSA-N