| CAS Number | 1630906-73-8 |
| Catalog Number | AG001TPV(AGN-PC-0WCXB3) |
| Chemical Name | Carbamic acid, N-(3-oxobicyclo[3.2.1]oct-8-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(3-oxo-8-bicyclo[3.2.1]octanyl)carbamate |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-11-8-4-5-9(11)7-10(15)6-8/h8-9,11H,4-7H2,1-3H3,(H,14,16) |
| InChI Key | UFRMIMOAWPURFR-UHFFFAOYSA-N |
| MDL Number | MFCD27987352 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | N(C(=O)OC(C)(C)C)C1C2CC(=O)CC1CC2 |
| Synonyms | 1630906-73-8,
tert-Butyl (3-oxobicyclo[3.2.1]octan-8-yl)carbamate,
tert-butyl N-{3-oxobicyclo[3.2.1]octan-8-yl}carbamate,
MFCD27987352,
FCH3133356,
SB13371,
AK171300,
AS-52095,
8-(Boc-amino)-3-oxobicyclo[3.2.1]octane,
CS-0047902,
tert-butyl N-(3-oxo-8-bicyclo[3.2.1]octanyl)carbamate,
Carbamic acid, N-(3-oxobicyclo[3.2.1]oct-8-yl)-, 1,1-dimethylethyl ester,
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| 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 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number