| CAS Number | 14548-30-2 |
| Catalog Number | AG001D34(AGN-PC-00M22R) |
| Chemical Name | 4-(4-methylbenzoyl)pyridine |
| IUPAC Name | (4-methylphenyl)-pyridin-4-ylmethanone |
| InChI | InChI=1S/C13H11NO/c1-10-2-4-11(5-3-10)13(15)12-6-8-14-9-7-12/h2-9H,1H3 |
| InChI Key | BCMJOPYGJGOYJH-UHFFFAOYSA-N |
| MDL Number | MFCD03069518 |
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.2325 |
| SMILES | Cc1ccc(cc1)C(=O)c1ccncc1 |
| Synonyms | 14548-30-2,
Pyridin-4-yl-(p-tolyl)methanone,
Methanone, (4-methylphenyl)-4-pyridinyl-,
SCHEMBL262820,
pyridin-4-yl-p-tolyl-methanone,
CTK0E9522,
DTXSID40536858,
BCMJOPYGJGOYJH-UHFFFAOYSA-N,
ZINC22121760,
(4-Methylphenyl)-4-pyridinylmethanone,
(4-Methylphenyl)(pyridin-4-yl)methanone,
CS-0059712,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.237g/mol |
| Monoisotopic Mass | 197.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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