| CAS Number | 1607436-58-7 |
| Catalog Number | AG01DHDJ |
| Chemical Name | 4-Acetyl-2-(2,6-dimethylphenoxy) pyridine |
| IUPAC Name | 1-[2-(2,6-dimethylphenoxy)pyridin-4-yl]ethanone |
| InChI | InChI=1S/C15H15NO2/c1-10-5-4-6-11(2)15(10)18-14-9-13(12(3)17)7-8-16-14/h4-9H,1-3H3 |
| InChI Key | GTCPNEGEYVCLQF-UHFFFAOYSA-N |
| MDL Number | MFCD31652821 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | CC(=O)c1ccnc(Oc2c(C)cccc2C)c1 |
| Synonyms | 4-Acetyl-2-(2,6-dimethylphenoxy) pyridine,
1607436-58-7,
CS-0059898,
1-(2-(2,6-Dimethylphenoxy)pyridin-4-yl)ethan-1-one,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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