| CAS Number | 1545974-42-2 |
| Catalog Number | AG01DHWF |
| Chemical Name | 1-[6-(2-ethoxyphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(2-ethoxyphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C15H15NO3/c1-3-18-13-6-4-5-7-14(13)19-15-9-8-12(10-16-15)11(2)17/h4-10H,3H2,1-2H3 |
| InChI Key | CCRUGJYUDDNKFK-UHFFFAOYSA-N |
| MDL Number | MFCD26163853 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.2845 |
| SMILES | CCOc1ccccc1Oc1ccc(cn1)C(C)=O |
| Synonyms | 5-Acetyl-2-(2-ethoxyphenoxy) pyridine,
1545974-42-2,
AKOS020878821,
CS-0059926,
1-(6-(2-Ethoxyphenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.289g/mol |
| Monoisotopic Mass | 257.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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