| CAS Number | 1269755-58-9 |
| Catalog Number | AG00HRMJ |
| Chemical Name | 4-[(tert-butoxy)carbonyl]-1,4-oxazepane-6-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid |
| InChI | InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(6-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | AGHHOHWABGIJAB-UHFFFAOYSA-N |
| MDL Number | MFCD22394014 |
| Molecular Formula | C11H19NO5 |
| Molecular Weight | 245.2723 |
| SMILES | O=C(N1CCOCC(C(O)=O)C1)OC(C)(C)C |
| Synonyms | 1269755-58-9,
4-(tert-butoxycarbonyl)-1,4-oxazepane-6-carboxylic acid,
4-BOC-1,4-OXAZEPANE-6-CARBOXYLIC ACID,
4-[(tert-butoxy)carbonyl]-1,4-oxazepane-6-carboxylic acid,
SCHEMBL1439857,
DTXSID80729060,
AGHHOHWABGIJAB-UHFFFAOYSA-N,
MFCD22394014,
AS-38348,
4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.275g/mol |
| Monoisotopic Mass | 245.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number