| CAS Number | 733729-35-6 |
| Catalog Number | AG00ICE2(AGN-PC-0WR493) |
| Chemical Name | 4-(4-Methoxypyridin-2-yl)phenol |
| IUPAC Name | 4-(4-methoxypyridin-2-yl)phenol |
| InChI | InChI=1S/C12H11NO2/c1-15-11-6-7-13-12(8-11)9-2-4-10(14)5-3-9/h2-8,14H,1H3 |
| InChI Key | BELWRBOFELNWAT-UHFFFAOYSA-N |
| MDL Number | MFCD30527688 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | COc1ccnc(c1)c1ccc(cc1)O |
| Synonyms | 4-(4-Methoxypyridin-2-yl)phenol,
733729-35-6,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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