| CAS Number | 1803599-91-8 |
| Catalog Number | AG01B8O9(AGN-PC-0WP104) |
| Chemical Name | tert-butyl 4-oxoazocane-1-carboxylate |
| IUPAC Name | tert-butyl 4-oxoazocane-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(14)7-9-13/h4-9H2,1-3H3 |
| InChI Key | AOSCQHORSVUIGK-UHFFFAOYSA-N |
| MDL Number | MFCD28348088 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | O=C1CCCCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-oxoazocane-1-carboxylate,
1803599-91-8,
SCHEMBL3616758,
AKOS025148556,
ZINC201246908,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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