| CAS Number | 59776-91-9 |
| Catalog Number | AG01DKBL(AGN-PC-0NI9MW) |
| Chemical Name | 4-[4-(propan-2-yl)benzoyl]pyridine |
| IUPAC Name | (4-propan-2-ylphenyl)-pyridin-4-ylmethanone |
| InChI | InChI=1S/C15H15NO/c1-11(2)12-3-5-13(6-4-12)15(17)14-7-9-16-10-8-14/h3-11H,1-2H3 |
| InChI Key | UXVREIOQIBVKSM-UHFFFAOYSA-N |
| MDL Number | MFCD12094681 |
| Molecular Formula | C15H15NO |
| Molecular Weight | 225.2857 |
| SMILES | CC(C)c1ccc(cc1)C(=O)c1ccncc1 |
| Synonyms | (4-isopropylphenyl)(pyridin-4-yl)methanone,
59776-91-9,
Methanone, [4-(1-methylethyl)phenyl]-4-pyridinyl-,
CTK1E6539,
DTXSID50482756,
AKOS009815509,
CS-0059716,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.291g/mol |
| Monoisotopic Mass | 225.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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