| CAS Number | 2031260-97-4 |
| Catalog Number | AG01B4V7 |
| Chemical Name | tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate |
| IUPAC Name | tert-butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-7-6-10(15)8-13(4,5)9-14/h6-9H2,1-5H3 |
| InChI Key | HSWICCNIMXTPPT-UHFFFAOYSA-N |
| MDL Number | MFCD30345526 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | CC(OC(N1CC(C)(C)CC(=O)CC1)=O)(C)C |
| Synonyms | tert-Butyl 3,3-dimethyl-5-oxoazepane-1-carboxylate,
2031260-97-4,
ZINC521398980,
CS-0077356,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number