| CAS Number | 1165921-51-6 |
| Catalog Number | AG01ANDQ |
| Chemical Name | tert-butyl N-(3-methyl-5-oxohexyl)carbamate |
| IUPAC Name | tert-butyl N-(3-methyl-5-oxohexyl)carbamate |
| InChI | InChI=1S/C12H23NO3/c1-9(8-10(2)14)6-7-13-11(15)16-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15) |
| InChI Key | AQLQVPFCUIFAFL-UHFFFAOYSA-N |
| MDL Number | MFCD28010964 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(CC(C)=O)CCNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-(3-methyl-5-oxohexyl)carbamate,
1165921-51-6,
AKOS033816310,
Z2235790904,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number