| CAS Number | 1557799-31-1 |
| Catalog Number | AG01DTPD |
| Chemical Name | 1-{6-[5-methyl-2-(propan-2-yl)phenoxy]pyridin-3-yl}ethan-1-one |
| IUPAC Name | 1-[6-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C17H19NO2/c1-11(2)15-7-5-12(3)9-16(15)20-17-8-6-14(10-18-17)13(4)19/h5-11H,1-4H3 |
| InChI Key | ZKMYEBVDYDEWRH-UHFFFAOYSA-N |
| MDL Number | MFCD31652828 |
| Molecular Formula | C17H19NO2 |
| Molecular Weight | 269.3383 |
| SMILES | CC(C)c1ccc(C)cc1Oc1ccc(cn1)C(C)=O |
| Synonyms | 5-Acetyl-2-(2-isopropyl-5-methylphenoxy) pyridine,
1557799-31-1,
AKOS020878907,
CS-0059922,
1-(6-(2-Isopropyl-5-methylphenoxy)pyridin-3-yl)ethan-1-one,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.344g/mol |
| Monoisotopic Mass | 269.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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