| CAS Number | 1495492-84-6 |
| Catalog Number | AG01BFVW(AGN-PC-0WNNHN) |
| Chemical Name | 3-Methanesulfonylcyclohexan-1-one |
| IUPAC Name | 3-methylsulfonylcyclohexan-1-one |
| InChI | InChI=1S/C7H12O3S/c1-11(9,10)7-4-2-3-6(8)5-7/h7H,2-5H2,1H3 |
| InChI Key | YACQHBDYAZSZMW-UHFFFAOYSA-N |
| MDL Number | MFCD20402417 |
| Molecular Formula | C7H12O3S |
| Molecular Weight | 176.2334 |
| SMILES | CS(C1CC(=O)CCC1)(=O)=O |
| Synonyms | 3-methanesulfonylcyclohexan-1-one,
1495492-84-6,
AKOS014043925,
NE27946,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.23g/mol |
| Monoisotopic Mass | 176.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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