| CAS Number | 2126161-89-3 |
| Catalog Number | AG01ELWY |
| Chemical Name | tert-butyl 3-(iodomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate |
| IUPAC Name | tert-butyl 3-(iodomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate |
| InChI | InChI=1S/C13H22INO3/c1-12(2,3)18-11(16)15-5-4-13(8-15)6-10(7-14)17-9-13/h10H,4-9H2,1-3H3 |
| InChI Key | KSEJZIWCELFVQV-UHFFFAOYSA-N |
| MDL Number | MFCD31381162 |
| Molecular Formula | C13H22INO3 |
| Molecular Weight | 367.2231 |
| SMILES | CC(OC(N1CC2(CC(CI)OC2)CC1)=O)(C)C |
| Synonyms | tert-butyl 3-(iodomethyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylate,
2126161-89-3,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.227g/mol |
| Monoisotopic Mass | 367.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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