| CAS Number | 1319716-43-2 |
| Catalog Number | AG01B1VQ(AGN-PC-0WD8RD) |
| Chemical Name | tert-butyl 6-oxo-2-azaspiro[4.4]nonane-2-carboxylate |
| IUPAC Name | tert-butyl 9-oxo-2-azaspiro[4.4]nonane-2-carboxylate |
| InChI | InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-7-13(9-14)6-4-5-10(13)15/h4-9H2,1-3H3 |
| InChI Key | AFSMSLGKOLTQGI-UHFFFAOYSA-N |
| MDL Number | MFCD27988095 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | CC(OC(N1CC2(C(=O)CCC2)CC1)=O)(C)C |
| Synonyms | tert-butyl 6-oxo-2-azaspiro[4.4]nonane-2-carboxylate,
1319716-43-2,
SB11939,
tert-butyl6-oxo-2-azaspiro[4.4]nonane-2-carboxylate,
6-Oxo-2-azaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester,
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| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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