| CAS Number | 1638771-46-6 |
| Catalog Number | AG01B51V(AGN-PC-0WD8SE) |
| Chemical Name | tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| IUPAC Name | tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H20INO3/c1-11(2,3)17-10(15)14-7-12(8-14)5-4-9(6-13)16-12/h9H,4-8H2,1-3H3 |
| InChI Key | LYGQZEWJUKSMPU-UHFFFAOYSA-N |
| MDL Number | MFCD27986993 |
| Molecular Formula | C12H20INO3 |
| Molecular Weight | 353.1966 |
| SMILES | CC(OC(N1CC2(OC(CI)CC2)C1)=O)(C)C |
| Synonyms | 1638771-46-6,
tert-butyl 6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
SB11662,
tert-butyl6-(iodomethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.2g/mol |
| Monoisotopic Mass | 353.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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