| CAS Number | 1820687-97-5 |
| Catalog Number | AG01AT2Q |
| Chemical Name | Methyl 2-(pyrrolidine-3-sulfonyl)acetate hydrochloride |
| IUPAC Name | methyl 2-pyrrolidin-3-ylsulfonylacetate;hydrochloride |
| InChI | InChI=1S/C7H13NO4S.ClH/c1-12-7(9)5-13(10,11)6-2-3-8-4-6;/h6,8H,2-5H2,1H3;1H |
| InChI Key | RIJSGJQEQMGQNX-UHFFFAOYSA-N |
| MDL Number | MFCD26792974 |
| Molecular Formula | C7H14ClNO4S |
| Molecular Weight | 243.7084 |
| SMILES | O=S(CC(OC)=O)(C1CCNC1)=O.Cl |
| Synonyms | methyl 2-(pyrrolidine-3-sulfonyl)acetate hydrochloride,
1820687-97-5,
AKOS026677540,
F2167-0236,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.702g/mol |
| Monoisotopic Mass | 243.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number