| CAS Number | 1909358-92-4 |
| Catalog Number | AG01BTE8 |
| Chemical Name | methyl 3-sulfoprop-2-enoate |
| IUPAC Name | methyl (E)-3-fluorosulfonylprop-2-enoate |
| InChI | InChI=1S/C4H5FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H,1H3/b3-2+ |
| InChI Key | PDDSVEHBHWPDFP-NSCUHMNNSA-N |
| MDL Number | MFCD29047239 |
| Molecular Formula | C4H5FO4S |
| Molecular Weight | 168.1435 |
| SMILES | COC(C=CS(F)(=O)=O)=O |
| Synonyms | 1909358-92-4,
ZINC299805458,
ES-2240,
methyl (2E)-3-(fluorosulfonyl)prop-2-enoate,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 167.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.138g/mol |
| Monoisotopic Mass | 167.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number