| CAS Number | 1607436-57-6 |
| Catalog Number | AG01DHTC |
| Chemical Name | 1-{4-[(4-acetylpyridin-2-yl)oxy]phenyl}ethan-1-one |
| IUPAC Name | 1-[4-(4-acetylpyridin-2-yl)oxyphenyl]ethanone |
| InChI | InChI=1S/C15H13NO3/c1-10(17)12-3-5-14(6-4-12)19-15-9-13(11(2)18)7-8-16-15/h3-9H,1-2H3 |
| InChI Key | UWONRWAXOIKSKE-UHFFFAOYSA-N |
| MDL Number | MFCD31652823 |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.2686 |
| SMILES | CC(=O)c1ccc(Oc2cc(ccn2)C(C)=O)cc1 |
| Synonyms | 4-Acetyl-2-(4-acetylphenoxy) pyridine,
1607436-57-6,
CS-0059901,
1-(2-(4-Acetylphenoxy)pyridin-4-yl)ethan-1-one,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.273g/mol |
| Monoisotopic Mass | 255.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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