| CAS Number | 1566456-87-8 |
| Catalog Number | AG01BC77 |
| Chemical Name | 1-(5-methoxypyridin-2-yl)propan-1-one |
| IUPAC Name | 1-(5-methoxypyridin-2-yl)propan-1-one |
| InChI | InChI=1S/C9H11NO2/c1-3-9(11)8-5-4-7(12-2)6-10-8/h4-6H,3H2,1-2H3 |
| InChI Key | JRLHWZAIPCZJKU-UHFFFAOYSA-N |
| MDL Number | MFCD26047760 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CCC(C1=NC=C(OC)C=C1)=O |
| Synonyms | 1-(5-methoxypyridin-2-yl)propan-1-one,
1566456-87-8,
ZINC156684321,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number