| CAS Number | 1556627-26-9 |
| Catalog Number | AG01DHDQ |
| Chemical Name | 1-[6-(4-ethylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(4-ethylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C15H15NO2/c1-3-12-4-7-14(8-5-12)18-15-9-6-13(10-16-15)11(2)17/h4-10H,3H2,1-2H3 |
| InChI Key | QQNQHARSYJTBQD-UHFFFAOYSA-N |
| MDL Number | MFCD25744730 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | CCc1ccc(Oc2ccc(cn2)C(C)=O)cc1 |
| Synonyms | 5-Acetyl-2-(4-ethylphenoxy) pyridine,
1556627-26-9,
AKOS020878887,
CS-0059937,
1-(6-(4-Ethylphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 272 |
| 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 | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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