| CAS Number | 1553935-56-0 |
| Catalog Number | AG01DKCP |
| Chemical Name | 1-[6-(4-methylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(4-methylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H13NO2/c1-10-3-6-13(7-4-10)17-14-8-5-12(9-15-14)11(2)16/h3-9H,1-2H3 |
| InChI Key | KOJPHSCAHHCJOL-UHFFFAOYSA-N |
| MDL Number | MFCD25744719 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | CC(=O)c1ccc(Oc2ccc(C)cc2)nc1 |
| Synonyms | 5-Acetyl-2-(4-methylphenoxy) pyridine,
1553935-56-0,
SCHEMBL19778853,
AKOS020878684,
CS-0059933,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number