| CAS Number | 135859-47-1 |
| Catalog Number | AG019SY2(AGN-PC-0PKQZV) |
| Chemical Name | 3-Hydroxy-3-methylbutyl methanesulfonate |
| IUPAC Name | (3-hydroxy-3-methylbutyl) methanesulfonate |
| InChI | InChI=1S/C6H14O4S/c1-6(2,7)4-5-10-11(3,8)9/h7H,4-5H2,1-3H3 |
| InChI Key | DZXWFXLOGKAJLQ-UHFFFAOYSA-N |
| MDL Number | MFCD21602470 |
| Molecular Formula | C6H14O4S |
| Molecular Weight | 182.2380 |
| SMILES | CC(CCOS(C)(=O)=O)(O)C |
| Synonyms | 3-hydroxy-3-methylbutyl methanesulfonate,
135859-47-1,
SCHEMBL3369383,
DZXWFXLOGKAJLQ-UHFFFAOYSA-N,
ZINC72266343,
AKOS026726462,
DB-094296,
Methanesulfonic acid 3-hydroxy-3-methylbutyl ester,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.06128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.24g/mol |
| Monoisotopic Mass | 182.06128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number