| CAS Number | 1784807-21-1 |
| Catalog Number | AG019EPD(AGN-PC-0WG4VY) |
| Chemical Name | tert-butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate |
| IUPAC Name | tert-butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate |
| InChI | InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-6-8-4-5-9(7-14)13-10(8)15/h8-9H,4-7H2,1-3H3,(H,13,15) |
| InChI Key | PDTLUVMGYJWBHZ-UHFFFAOYSA-N |
| MDL Number | MFCD28534913 |
| Molecular Formula | C12H20N2O3 |
| Molecular Weight | 240.2988 |
| SMILES | CC(C)(C)OC(=O)N1CC2CCC(C1)C(=O)N2 |
| Synonyms | tert-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate,
1784807-21-1,
MFCD28534913,
CS-0036695,
t-Butyl 7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.303g/mol |
| Monoisotopic Mass | 240.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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