| CAS Number | 1553935-64-0 |
| Catalog Number | AG01DM4I |
| Chemical Name | 1-[6-(3-methylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(3-methylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H13NO2/c1-10-4-3-5-13(8-10)17-14-7-6-12(9-15-14)11(2)16/h3-9H,1-2H3 |
| InChI Key | BTCKYKKYRXVXJZ-UHFFFAOYSA-N |
| MDL Number | MFCD25744734 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | CC(=O)c1ccc(Oc2cccc(C)c2)nc1 |
| Synonyms | 5-Acetyl-(3-methyl phenoxy)pyridine,
1-(6-(M-Tolyloxy)pyridin-3-yl)ethan-1-one,
1553935-64-0,
AKOS020878711,
CS-0059927,
|
| Complexity | 267 |
| 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