| CAS Number | 82191-11-5 |
| Catalog Number | AG00ID8B(AGN-PC-0WP1OI) |
| Chemical Name | 3-(2-Hydroxy-2-phenylethyl)-1,3-oxazolidin-2-one |
| IUPAC Name | 3-(2-hydroxy-2-phenylethyl)-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C11H13NO3/c13-10(9-4-2-1-3-5-9)8-12-6-7-15-11(12)14/h1-5,10,13H,6-8H2 |
| InChI Key | XAINKWDKGNVXFB-UHFFFAOYSA-N |
| MDL Number | MFCD22631794 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | OC(c1ccccc1)CN1CCOC1=O |
| Synonyms | 82191-11-5,
3-(2-hydroxy-2-phenylethyl)-1,3-oxazolidin-2-one,
3-(2-Hydroxy-2-phenylethyl)oxazolidin-2-one,
SCHEMBL11102600,
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| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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