| CAS Number | 859537-79-4 |
| Catalog Number | AG004MJT(AGN-PC-02OQ3Y) |
| Chemical Name | 4-(Ethanesulfonyl)phenol |
| IUPAC Name | 4-ethylsulfonylphenol |
| InChI | InChI=1S/C8H10O3S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3 |
| InChI Key | QIFHJXTUYMXRID-UHFFFAOYSA-N |
| MDL Number | MFCD21984762 |
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.2282 |
| SMILES | CCS(=O)(=O)c1ccc(cc1)O |
| Synonyms | 4-(ethylsulfonyl)phenol,
4-(ethanesulfonyl)phenol,
859537-79-4,
Phenol, 4-(ethylsulfonyl)-,
SCHEMBL1657371,
CTK3C7941,
DTXSID90603948,
QIFHJXTUYMXRID-UHFFFAOYSA-N,
ZINC59463673,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.225g/mol |
| Monoisotopic Mass | 186.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number