| CAS Number | 1269755-59-0 |
| Catalog Number | AG01EMA6 |
| Chemical Name | tert-butyl 6-formyl-1,4-oxazepane-4-carboxylate |
| IUPAC Name | tert-butyl 6-formyl-1,4-oxazepane-4-carboxylate |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h7,9H,4-6,8H2,1-3H3 |
| InChI Key | URPNDUJBEFQVLM-UHFFFAOYSA-N |
| MDL Number | MFCD22573924 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | C(=O)C1CN(CCOC1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 6-FORMYL-1,4-OXAZEPANE-4-CARBOXYLATE,
1269755-59-0,
SCHEMBL1440036,
DTXSID50857208,
URPNDUJBEFQVLM-UHFFFAOYSA-N,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number