| CAS Number | 1555340-94-7 |
| Catalog Number | AG01DTM6 |
| Chemical Name | 1-[6-(3-methoxyphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(3-methoxyphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C14H13NO3/c1-10(16)11-6-7-14(15-9-11)18-13-5-3-4-12(8-13)17-2/h3-9H,1-2H3 |
| InChI Key | LWQQIOABCNJFGN-UHFFFAOYSA-N |
| MDL Number | MFCD25744729 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | COc1cccc(Oc2ccc(cn2)C(C)=O)c1 |
| Synonyms | 5-Acetyl-(3-methoxyphenoxy)pyridine,
1555340-94-7,
AKOS020878866,
CS-0059929,
1-(6-(3-Methoxyphenoxy)pyridin-3-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 | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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