| CAS Number | 1554472-61-5 |
| Catalog Number | AG01DICR |
| Chemical Name | 5-Acetyl-2-(2-tert-butylphenoxy) pyridine |
| IUPAC Name | 1-[6-(2-tert-butylphenoxy)pyridin-3-yl]ethanone |
| InChI | InChI=1S/C17H19NO2/c1-12(19)13-9-10-16(18-11-13)20-15-8-6-5-7-14(15)17(2,3)4/h5-11H,1-4H3 |
| InChI Key | GQOSPTXVESGIBU-UHFFFAOYSA-N |
| MDL Number | MFCD31652829 |
| Molecular Formula | C17H19NO2 |
| Molecular Weight | 269.3383 |
| SMILES | CC(=O)c1ccc(Oc2ccccc2C(C)(C)C)nc1 |
| Synonyms | 5-Acetyl-2-(2-tert-butylphenoxy) pyridine,
1554472-61-5,
AKOS020878986,
CS-0059925,
1-(6-(2-(Tert-butyl)phenoxy)pyridin-3-yl)ethan-1-one,
|
| Complexity | 334 |
| 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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