| CAS Number | 1309359-79-2 |
| Catalog Number | AG019ZWY(AGN-PC-0WO8JO) |
| Chemical Name | tert-butyl 5-oxoazocane-1-carboxylate |
| IUPAC Name | tert-butyl 5-oxoazocane-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-6-10(14)7-5-9-13/h4-9H2,1-3H3 |
| InChI Key | OHBOOHCNAFIGLR-UHFFFAOYSA-N |
| MDL Number | MFCD22391981 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | C(=O)(OC(C)(C)C)N1CCCC(=O)CCC1 |
| Synonyms | tert-butyl 5-oxoazocane-1-carboxylate,
1309359-79-2,
SCHEMBL4181120,
OHBOOHCNAFIGLR-UHFFFAOYSA-N,
tert-butyl5-oxoazocane-1-carboxylate,
ZINC83250302,
AKOS025148557,
SB13493,
CS-0079068,
5-Oxo-3,4,5,6,7,8-hexahydroazocine-1(2H)-carboxylic acid tert-butyl ester,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number