| CAS Number | 933971-17-6 |
| Catalog Number | AG01BUN2 |
| Chemical Name | tert-butyl 2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetate |
| IUPAC Name | tert-butyl 2-(4-oxo-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C9H13NO3S/c1-9(2,3)13-8(12)4-7-10-6(11)5-14-7/h4-5H2,1-3H3 |
| InChI Key | NBKKBCXVNGZSLG-UHFFFAOYSA-N |
| MDL Number | MFCD01789474 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | CC(OC(CC1SCC(=O)N=1)=O)(C)C |
| Synonyms | tert-butyl 2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetate,
933971-17-6,
ZINC18052697,
AKOS004114964,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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