| CAS Number | 2122197-01-5 |
| Catalog Number | AG01DTM9 |
| Chemical Name | Tert-Butyl 8-(Hydroxymethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate |
| IUPAC Name | tert-butyl 8-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate |
| InChI | InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-7-12(8-13)9(6-14)4-5-16-12/h9,14H,4-8H2,1-3H3 |
| InChI Key | DTNHNIWJOSUBCF-UHFFFAOYSA-N |
| MDL Number | MFCD31579919 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)OCCC2CO |
| Synonyms | Tert-Butyl 8-(Hydroxymethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate,
2122197-01-5,
5-Oxa-2-azaspiro[3.4]octane-2-carboxylic acid, 8-(hydroxymethyl)-, 1,1-dimethylethyl ester,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.3g/mol |
| Monoisotopic Mass | 243.147058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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