| CAS Number | 2137543-26-9 |
| Catalog Number | AG01EJZ3 |
| Chemical Name | tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate |
| IUPAC Name | tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate |
| InChI | InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-6-9(13)4-5-10(8)14/h8-9H,4-7H2,1-3H3 |
| InChI Key | IMLMCTVICONPMN-UHFFFAOYSA-N |
| MDL Number | MFCD31456801 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | CC(OC(N1C2CCC(=O)C(C2)C1)=O)(C)C |
| Synonyms | AKOS034086798,
tert-butyl 2-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate,
2137543-26-9,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number