| CAS Number | 1247919-19-2 |
| Catalog Number | AG01ALG9 |
| Chemical Name | 4-Methanesulfonyloxane-4-carboxylic acid |
| IUPAC Name | 4-methylsulfonyloxane-4-carboxylic acid |
| InChI | InChI=1S/C7H12O5S/c1-13(10,11)7(6(8)9)2-4-12-5-3-7/h2-5H2,1H3,(H,8,9) |
| InChI Key | DDOKFXZOQMMIEM-UHFFFAOYSA-N |
| MDL Number | MFCD16766462 |
| Molecular Formula | C7H12O5S |
| Molecular Weight | 208.2322 |
| SMILES | CS(C1(C(O)=O)CCOCC1)(=O)=O |
| Synonyms | 4-methanesulfonyloxane-4-carboxylic acid,
1247919-19-2,
ZINC52788875,
AKOS011762900,
Z2197092353,
4-Methanesulfonyl-tetrahydro-pyran-4-carboxylic acid,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.228g/mol |
| Monoisotopic Mass | 208.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number