| CAS Number | 1496985-27-3 |
| Catalog Number | AG01BEYP |
| Chemical Name | tert-Butyl n-(2-formylcyclohexyl)carbamate |
| IUPAC Name | tert-butyl N-(2-formylcyclohexyl)carbamate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h8-10H,4-7H2,1-3H3,(H,13,15) |
| InChI Key | KNQREOBBZDSHPN-UHFFFAOYSA-N |
| MDL Number | MFCD24391095 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | CC(OC(NC1C(C=O)CCCC1)=O)(C)C |
| Synonyms | tert-butyl N-(2-formylcyclohexyl)carbamate,
1496985-27-3,
SCHEMBL5660102,
FCH1681847,
EN300-183866,
|
| Complexity | 258 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number