| CAS Number | 1260836-35-8 |
| Catalog Number | AG01BEVI |
| Chemical Name | tert-butyl N-[(3-oxocyclohexyl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(3-oxocyclohexyl)methyl]carbamate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-5-4-6-10(14)7-9/h9H,4-8H2,1-3H3,(H,13,15) |
| InChI Key | HSOQXTIUYUKOIY-UHFFFAOYSA-N |
| MDL Number | MFCD16036452 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | O=C1CC(CCC1)CNC(OC(C)(C)C)=O |
| Synonyms | tert-Butyl ((3-oxocyclohexyl)methyl)carbamate,
1260836-35-8,
SB23119,
Carbamic acid, N-(3-xocyclohexyl)ethyl]-, 1,1-imethylethyl ester,
|
| Complexity | 268 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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