| CAS Number | 1346162-29-5 |
| Catalog Number | AG01BXP7 |
| Chemical Name | 3-methylcyclohexyl methanesulfonate |
| IUPAC Name | (3-methylcyclohexyl) methanesulfonate |
| InChI | InChI=1S/C8H16O3S/c1-7-4-3-5-8(6-7)11-12(2,9)10/h7-8H,3-6H2,1-2H3 |
| InChI Key | DJEAINHKOPMWTP-UHFFFAOYSA-N |
| MDL Number | MFCD26961252 |
| Molecular Formula | C8H16O3S |
| Molecular Weight | 192.2758 |
| SMILES | CC1CC(OS(C)(=O)=O)CCC1 |
| Synonyms | 3-methylcyclohexyl methanesulfonate,
1346162-29-5,
SCHEMBL2580352,
DJEAINHKOPMWTP-UHFFFAOYSA-N,
AKOS026733961,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.273g/mol |
| Monoisotopic Mass | 192.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number