| CAS Number | 20854-29-9 |
| Catalog Number | AG01BAJR |
| Chemical Name | 2-(Ethenesulfonyl)acetic acid |
| IUPAC Name | 2-ethenylsulfonylacetic acid |
| InChI | InChI=1S/C4H6O4S/c1-2-9(7,8)3-4(5)6/h2H,1,3H2,(H,5,6) |
| InChI Key | KQHZEKKRIHMIBO-UHFFFAOYSA-N |
| MDL Number | MFCD20643987 |
| Molecular Formula | C4H6O4S |
| Molecular Weight | 150.1530 |
| SMILES | OC(CS(C=C)(=O)=O)=O |
| Synonyms | 2-(ethenesulfonyl)acetic acid,
20854-29-9,
ethenesulfonylacetic acid,
SCHEMBL3004711,
ZINC138863264,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.148g/mol |
| Monoisotopic Mass | 149.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number