| CAS Number | 1556627-34-9 |
| Catalog Number | AG01DTT4 |
| Chemical Name | 5-Acetyl-2-(2-methylphenoxy) pyridine |
| IUPAC Name | 1-[6-(2-methylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H13NO2/c1-10-5-3-4-6-13(10)17-14-8-7-12(9-15-14)11(2)16/h3-9H,1-2H3 |
| InChI Key | NDOWIPQATFIDKV-UHFFFAOYSA-N |
| MDL Number | MFCD25744735 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | CC(=O)c1ccc(Oc2ccccc2C)nc1 |
| Synonyms | 5-Acetyl-2-(2-methylphenoxy) pyridine,
1556627-34-9,
AKOS020878735,
CS-0059924,
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| 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 |
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Certificate of Analysis
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