| CAS Number | 1420981-43-6 |
| Catalog Number | AG01DTM8 |
| Chemical Name | tert-butyl 3-(1-hydroxy-3-methoxy-3-oxopropyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(1-hydroxy-3-methoxy-3-oxopropyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(7-13)9(14)5-10(15)17-4/h8-9,14H,5-7H2,1-4H3 |
| InChI Key | RMEWSSZNDWQGOU-UHFFFAOYSA-N |
| MDL Number | MFCD24384838 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COC(CC(C1CN(C(OC(C)(C)C)=O)C1)O)=O |
| Synonyms | tert-Butyl 3-(1-hydroxy-3-methoxy-3-oxopropyl)azetidine-1-carboxylate,
1420981-43-6,
AM99836,
2-Methyl-2-propanyl 3-(1-hydroxy-3-methoxy-3-oxopropyl)-1-azetidinecarboxylate,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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