| CAS Number | 893737-42-3 |
| Catalog Number | AG00IFOU(AGN-PC-02MGCZ) |
| Chemical Name | 3-(4-Methylsulfonylphenyl)phenol |
| IUPAC Name | 3-(4-methylsulfonylphenyl)phenol |
| InChI | InChI=1S/C13H12O3S/c1-17(15,16)13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9,14H,1H3 |
| InChI Key | MMGUTUQZASAGLF-UHFFFAOYSA-N |
| MDL Number | MFCD06802344 |
| Molecular Formula | C13H12O3S |
| Molecular Weight | 248.2976 |
| SMILES | S(C)(=O)(=O)C1=CC=C(C=C1)C1C=CC=C(O)C=1 |
| Synonyms | 893737-42-3,
4'-(Methylsulfonyl)-[1,1'-biphenyl]-3-ol,
4'-Methanesulfonyl-biphenyl-3-ol,
3-(4-methylsulfonylphenyl)phenol,
4'-(Methylsulfonyl)[1,1'-biphenyl]-3-ol,
DTXSID60602468,
MFCD06802344,
ZINC16947066,
AKOS004115060,
AJ-69721,
AM807681,
AX8250040,
4'-(Methanesulfonyl)[1,1'-biphenyl]-3-ol,
BB 0223418,
W-4128,
32933-03-2,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.296g/mol |
| Monoisotopic Mass | 248.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number