| CAS Number | 473836-97-4 |
| Catalog Number | AG00DKYG(AGN-PC-0WD708) |
| Chemical Name | (E)-tert-Butyl 4-(2-ethoxy-2-oxoethylidene)azepane-1-carboxylate |
| IUPAC Name | tert-butyl (4E)-4-(2-ethoxy-2-oxoethylidene)azepane-1-carboxylate |
| InChI | InChI=1S/C15H25NO4/c1-5-19-13(17)11-12-7-6-9-16(10-8-12)14(18)20-15(2,3)4/h11H,5-10H2,1-4H3/b12-11+ |
| InChI Key | JWIXIYCYGVQYQI-VAWYXSNFSA-N |
| MDL Number | MFCD25459271 |
| Molecular Formula | C15H25NO4 |
| Molecular Weight | 283.3633 |
| SMILES | CCOC(/C=C1CCN(C(OC(C)(C)C)=O)CCC1)=O |
| Synonyms | (E)-tert-butyl 4-(2-ethoxy-2-oxoethylidene)azepane-1-carboxylate,
473836-97-4,
Tert-butyl 4-(2-ethoxy-2-oxoethylidene)azepane-1-carboxylate,
AMOT0451,
ZINC204199991,
AM86046,
AK167561,
TZ000832,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 283.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.368g/mol |
| Monoisotopic Mass | 283.178g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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