| CAS Number | 1206968-73-1 |
| Catalog Number | AG01CAEB |
| Chemical Name | 4-methanesulfonyl-2-methoxyphenol |
| IUPAC Name | 2-methoxy-4-methylsulfonylphenol |
| InChI | InChI=1S/C8H10O4S/c1-12-8-5-6(13(2,10)11)3-4-7(8)9/h3-5,9H,1-2H3 |
| InChI Key | UNACZRJUKYPGER-UHFFFAOYSA-N |
| MDL Number | MFCD20259000 |
| Molecular Formula | C8H10O4S |
| Molecular Weight | 202.2276 |
| SMILES | OC1=CC=C(S(=O)(C)=O)C=C1OC |
| Synonyms | 4-Methanesulfonyl-2-methoxyphenol,
1206968-73-1,
SCHEMBL1577367,
UNACZRJUKYPGER-UHFFFAOYSA-N,
AKOS034086685,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.224g/mol |
| Monoisotopic Mass | 202.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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