| CAS Number | 1063734-19-9 |
| Catalog Number | AG00HAT0(AGN-PC-0WQX2B) |
| Chemical Name | tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate |
| IUPAC Name | tert-butyl 6-(hydroxymethyl)-1,4-oxazepane-4-carboxylate |
| InChI | InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-4-5-15-8-9(6-12)7-13/h9,13H,4-8H2,1-3H3 |
| InChI Key | SLJSFXUOECCLPA-UHFFFAOYSA-N |
| MDL Number | MFCD22573923 |
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.2887 |
| SMILES | CC(C)(C)OC(=O)N1CCOCC(C1)CO |
| Synonyms | TERT-BUTYL 6-(HYDROXYMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE,
1063734-19-9,
SCHEMBL1441732,
SLJSFXUOECCLPA-UHFFFAOYSA-N,
MFCD22573923,
AKOS024155596,
AS-38347,
CS-0079319,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.292g/mol |
| Monoisotopic Mass | 231.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number