| CAS Number | 1638771-32-0 |
| Catalog Number | AG01AULV(AGN-PC-0WD7XB) |
| Chemical Name | tert-butyl N-{8-oxobicyclo[3.2.1]octan-3-yl}carbamate |
| IUPAC Name | tert-butyl N-(8-oxo-3-bicyclo[3.2.1]octanyl)carbamate |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-6-8-4-5-9(7-10)11(8)15/h8-10H,4-7H2,1-3H3,(H,14,16) |
| InChI Key | HLYGBCMBJPUFGL-UHFFFAOYSA-N |
| MDL Number | MFCD27987349 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | CC(OC(NC1CC2C(=O)C(CC2)C1)=O)(C)C |
| Synonyms | 1638771-32-0,
tert-butyl N-{8-oxobicyclo[3.2.1]octan-3-yl}carbamate,
AKOS030238015,
SB13367,
tert-butyl (8-oxobicyclo[3.2.1]octan-3-yl)carbamate,
tert-butylN-{8-oxobicyclo[3.2.1]octan-3-yl}carbamate,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number