| CAS Number | 1546175-36-3 |
| Catalog Number | AG01DICQ |
| Chemical Name | 1-[6-(4-tert-butylphenoxy)pyridin-3-yl]ethan-1-one |
| IUPAC Name | 1-[6-(4-tert-butylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C17H19NO2/c1-12(19)13-5-10-16(18-11-13)20-15-8-6-14(7-9-15)17(2,3)4/h5-11H,1-4H3 |
| InChI Key | AGGUGNWMXOZGCW-UHFFFAOYSA-N |
| MDL Number | MFCD30540058 |
| Molecular Formula | C17H19NO2 |
| Molecular Weight | 269.3383 |
| SMILES | CC(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)nc1 |
| Synonyms | 5-Acetyl-2-(4-(t-butylphenoxy) pyridine,
1546175-36-3,
AKOS020878946,
CS-0059934,
1-(6-(4-(Tert-butyl)phenoxy)pyridin-3-yl)ethan-1-one,
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| Complexity | 326 |
| 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 | 4.1 |
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Certificate of Analysis
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