| CAS Number | 1551070-74-6 |
| Catalog Number | AG01DIUZ |
| Chemical Name | 4-Acetyl-2-(2-tert-butyl-5-methylphenoxy) pyridine |
| IUPAC Name | 1-[2-(2-tert-butyl-5-methylphenoxy)pyridin-4-yl]ethanone |
| InChI | InChI=1S/C18H21NO2/c1-12-6-7-15(18(3,4)5)16(10-12)21-17-11-14(13(2)20)8-9-19-17/h6-11H,1-5H3 |
| InChI Key | KDZGNCKMDGBOHN-UHFFFAOYSA-N |
| MDL Number | MFCD31652822 |
| Molecular Formula | C18H21NO2 |
| Molecular Weight | 283.3648 |
| SMILES | Cc1ccc(c(c1)Oc1nccc(c1)C(=O)C)C(C)(C)C |
| Synonyms | 4-Acetyl-2-(2-tert-butyl-5-methylphenoxy) pyridine,
1551070-74-6,
AKOS018899031,
CS-0059897,
1-(2-(2-(Tert-butyl)-5-methylphenoxy)pyridin-4-yl)ethan-1-one,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.371g/mol |
| Monoisotopic Mass | 283.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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