| CAS Number | 1269448-76-1 |
| Catalog Number | AG01DV5Y |
| Chemical Name | tert-butyl 3-(acetyloxy)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-acetyloxypyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO4/c1-8(13)15-9-5-6-12(7-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3 |
| InChI Key | IISMTBJUCUOJBU-UHFFFAOYSA-N |
| MDL Number | MFCD13191749 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(OC1CN(C(OC(C)(C)C)=O)CC1)=O |
| Synonyms | tert-Butyl 3-acetoxypyrrolidine-1-carboxylate,
1269448-76-1,
101408-94-0,
SCHEMBL17392565,
CTK6A2366,
AKOS015837886,
TR-038661,
TERT-BUTYL 3-(ACETYLOXY)PYRROLIDINE-1-CARBOXYLATE,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number