| CAS Number | 14195-09-6 |
| Catalog Number | AG019US2 |
| Chemical Name | 2-(4-Methylbenzenesulfonyl)cyclohexan-1-one |
| IUPAC Name | 2-(4-methylphenyl)sulfonylcyclohexan-1-one |
| InChI | InChI=1S/C13H16O3S/c1-10-6-8-11(9-7-10)17(15,16)13-5-3-2-4-12(13)14/h6-9,13H,2-5H2,1H3 |
| InChI Key | AAACOSUXEVDPSL-UHFFFAOYSA-N |
| MDL Number | MFCD01926776 |
| Molecular Formula | C13H16O3S |
| Molecular Weight | 252.3293 |
| SMILES | CC1=CC=C(S(C2C(=O)CCCC2)(=O)=O)C=C1 |
| Synonyms | 2-(4-methylbenzenesulfonyl)cyclohexan-1-one,
14195-09-6,
2-[(4-methylphenyl)sulfonyl]cyclohexanone,
2-[(4-methylbenzene)sulfonyl]cyclohexan-1-one,
2-Tosylcyclohexanone,
AC1MNUW1,
AC1Q2LFO,
Oprea1_576464,
MLS000756215,
CHEMBL1898053,
HMS2599F16,
AKOS008967832,
MCULE-8060863668,
NE18999,
SMR000226384,
2-(4-methylphenyl)sulfonylcyclohexan-1-one,
EN300-42650,
AG-803/12478065,
Z57600539,
ZINC00478244,
CID3333809,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.328g/mol |
| Monoisotopic Mass | 252.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number