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Molecule
(S)-(+)-4-Phenyl-2-Oxazolidinone
CAS: 99395-88-7 · C9H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 99395-88-7
- Molecular Formula
- C9H9NO2
- Molecular Mass
- 163.18 g/mol
Identifiers
CAS Registry Number
99395-88-7
SMILES
OC1=N[C@@H](c2ccccc2)CO1
InChI Key
QDMNNMIOWVJVLY-MRVPVSSYSA-N
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)/t8-/m1/s1
Names and Synonyms
- (S)-(+)-4-Phenyl-2-Oxazolidinone Common Name
- 2-Oxazolidinone, 4-phenyl-, (4S)- Synonym
- 2-Oxazolidinone, 4-phenyl-, (S)- Synonym
- (4S)-4-Phenyl-2-oxazolidinone Synonym
- (S)-4-Phenyl-2-oxazolidinone Synonym
- (S)-(+)-4-Phenyl-2-oxazolidinone Synonym
- (+)-4-Phenyl-2-oxazolidinone Synonym
- (S)-POZ Synonym
- (S)-4-Phenyl-1,3-oxazolidin-2-one Synonym
- (4S)-4-Phenyloxazolidin-2-one Synonym
- (S)-POZ Synonym
- (4S)-4-Phenyl-1,3-oxazolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.18 g/mol | CAS Common Chemistry |
| 163.17599999999996 g/mol | RDKit | |
| 163.176 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC(N1)C=2C=CC=CC2 | CAS Common Chemistry |
| 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)/t8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QDMNNMIOWVJVLY-MRVPVSSYSA-N | CAS Common Chemistry |
| Melting Point | 124-126 °C | CAS Common Chemistry |
| Name | (S)-(+)-4-Phenyl-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| 41.82 Ų | RDKit | |
| LogP | 1.6719 | RDKit |
| Molar Refractivity | 45.19880000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 163.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 163.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H9NO2.
