| CAS Number | 67399-14-8 |
| Catalog Number | AG01AGXS(AGN-PC-0OG442) |
| Chemical Name | Methyl 4-methanesulfonylbutanoate |
| IUPAC Name | methyl 4-methylsulfonylbutanoate |
| InChI | InChI=1S/C6H12O4S/c1-10-6(7)4-3-5-11(2,8)9/h3-5H2,1-2H3 |
| InChI Key | AXBHSQJTKHWHLX-UHFFFAOYSA-N |
| MDL Number | MFCD12823563 |
| Molecular Formula | C6H12O4S |
| Molecular Weight | 180.2221 |
| SMILES | COC(CCCS(C)(=O)=O)=O |
| Synonyms | methyl 4-methanesulfonylbutanoate,
67399-14-8,
AC1Q443P,
SCHEMBL4968131,
ZINC38063420,
AKOS010253250,
MCULE-4049393420,
NE59062,
EN300-73129,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.218g/mol |
| Monoisotopic Mass | 180.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number