| CAS Number | 1461713-57-4 |
| Catalog Number | AG01A6Y2 |
| Chemical Name | [4-(4-methylbenzenesulfonyl)phenyl]methanol |
| IUPAC Name | [4-(4-methylphenyl)sulfonylphenyl]methanol |
| InChI | InChI=1S/C14H14O3S/c1-11-2-6-13(7-3-11)18(16,17)14-8-4-12(10-15)5-9-14/h2-9,15H,10H2,1H3 |
| InChI Key | RYWRJRUEUFCLEE-UHFFFAOYSA-N |
| MDL Number | MFCD26407627 |
| Molecular Formula | C14H14O3S |
| Molecular Weight | 262.3242 |
| SMILES | CC1=CC=C(S(C2=CC=C(CO)C=C2)(=O)=O)C=C1 |
| Synonyms | [4-(4-methylbenzenesulfonyl)phenyl]methanol,
1461713-57-4,
ZINC95829285,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.323g/mol |
| Monoisotopic Mass | 262.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number