| CAS Number | 21975-10-0 |
| Catalog Number | AG01BVQT |
| Chemical Name | 4-Methanesulfonylcyclohexan-1-ol |
| IUPAC Name | 4-methylsulfonylcyclohexan-1-ol |
| InChI | InChI=1S/C7H14O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3 |
| InChI Key | MCOFLYDKYGTKCU-UHFFFAOYSA-N |
| MDL Number | MFCD12024494 |
| Molecular Formula | C7H14O3S |
| Molecular Weight | 178.2493 |
| SMILES | OC1CCC(S(=O)(C)=O)CC1 |
| Synonyms | 21975-10-0,
4-methanesulfonylcyclohexan-1-ol,
4-(Methanesulfonyl)cyclohexan-1-ol,
ZINC32914945,
AKOS015919055,
SC-95857,
FT-0652151,
A815794,
S09-0016,
4-(methylsulfonyl)cyclohexanol,
SCHEMBL3053304,
SCHEMBL3053305,
4-methylsulfonyl-1-cyclohexanol,
4-methylsulfonylcyclohexan-1-ol,
SCHEMBL20594856,
DTXSID70653981,
Cyclohexanol, 4-(methylsulfonyl)-,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.246g/mol |
| Monoisotopic Mass | 178.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number