| CAS Number | 1330763-23-9 |
| Catalog Number | AG00HSQX(AGN-PC-0WG3UZ) |
| Chemical Name | 4-tert-Butyl 5-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate |
| IUPAC Name | 4-O-tert-butyl 5-O-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate |
| InChI | InChI=1S/C13H21NO6/c1-5-19-11(16)10-9(15)8-18-7-6-14(10)12(17)20-13(2,3)4/h10H,5-8H2,1-4H3 |
| InChI Key | CRMCVFCPWKMQAH-UHFFFAOYSA-N |
| MDL Number | MFCD20230572 |
| Molecular Formula | C13H21NO6 |
| Molecular Weight | 287.3089 |
| SMILES | O=C(OC(C)(C)C)N1CCOCC(=O)C1C(=O)OCC |
| Synonyms | 1330763-23-9,
6-OXO-[1,4]OXAZEPANE-4,5-DICARBOXYLIC ACID 4-TERT-BUTYL ESTER 5-ETHYL ESTER,
4-tert-Butyl 5-ethyl 6-oxo-1,4-oxazepane-4,5-dicarboxylate,
MFCD20230572,
AM805124,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.312g/mol |
| Monoisotopic Mass | 287.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number