| CAS Number | 908578-43-8 |
| Catalog Number | AG01EK5G |
| Chemical Name | 2-Ethanesulfonamidopropanoic acid |
| IUPAC Name | 2-(ethylsulfonylamino)propanoic acid |
| InChI | InChI=1S/C5H11NO4S/c1-3-11(9,10)6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8) |
| InChI Key | GAUFCGISNUXEDT-UHFFFAOYSA-N |
| MDL Number | MFCD09048314 |
| Molecular Formula | C5H11NO4S |
| Molecular Weight | 181.2101 |
| SMILES | CCS(NC(C(O)=O)C)(=O)=O |
| Synonyms | 2-ethanesulfonamidopropanoic acid,
2-[(ethylsulfonyl)amino]propanoic acid,
AC1Q38DK,
SCHEMBL2435695,
CTK6G4689,
AKOS000132326,
AKOS017265254,
MCULE-4772484631,
NE32239,
NCGC00336200-01,
EN300-31213,
AB01329840-02,
Z53825283,
908578-43-8,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.206g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number