| CAS Number | 1086703-01-6 |
| Catalog Number | AG019F0D(AGN-PC-0WG4AW) |
| Chemical Name | (S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl (4S)-4-(4-hydroxyphenyl)-5-oxo-1,3-oxazolidine-3-carboxylate |
| InChI | InChI=1S/C14H17NO5/c1-14(2,3)20-13(18)15-8-19-12(17)11(15)9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3/t11-/m0/s1 |
| InChI Key | XESHSBTYZIUPPF-NSHDSACASA-N |
| MDL Number | MFCD30185070 |
| Molecular Formula | C14H17NO5 |
| Molecular Weight | 279.2885 |
| SMILES | CC(C)(C)OC(=O)N1COC(=O)[C@@H]1c1ccc(O)cc1 |
| Synonyms | (S)-4-(4-HYDROXY-PHENYL)-5-OXO-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER,
1086703-01-6,
SCHEMBL15723425,
MFCD30185070,
AKOS027428821,
ZINC138866151,
CS-0038947,
(S)-4-(4-Hydroxy-phenyl)-5-oxo-oxazolidine-3-carboxylic acid t-butyl ester,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.292g/mol |
| Monoisotopic Mass | 279.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number