| CAS Number | 935668-42-1 |
| Catalog Number | AG01DKK3(AGN-PC-0C1956) |
| Chemical Name | Tert-butyl 3-(methylsulfonyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-methylsulfonylazetidine-1-carboxylate |
| InChI | InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-5-7(6-10)15(4,12)13/h7H,5-6H2,1-4H3 |
| InChI Key | NSQUEHLSWKTUBH-UHFFFAOYSA-N |
| MDL Number | MFCD31802171 |
| Molecular Formula | C9H17NO4S |
| Molecular Weight | 235.3006 |
| SMILES | CS(=O)(=O)C1CN(C1)C(=O)OC(C)(C)C |
| Synonyms | SCHEMBL4183086,
NSQUEHLSWKTUBH-UHFFFAOYSA-N,
AS-69178,
tert-butyl 3-methanesulfonylazetidine-1-carboxylate,
3-(Methanesulfonyl)-1-azetidinecarboxylic acid tert-butyl ester,
935668-42-1,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.087829g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.3g/mol |
| Monoisotopic Mass | 235.087829g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number