| CAS Number | 1248707-89-2 |
| Catalog Number | AG01C7LW |
| Chemical Name | 2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one |
| IUPAC Name | 2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one |
| InChI | InChI=1S/C11H15NO/c1-8-6-5-7-12-9(8)10(13)11(2,3)4/h5-7H,1-4H3 |
| InChI Key | KBGILPXYOWNCLD-UHFFFAOYSA-N |
| MDL Number | MFCD16748766 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | CC1=C(C(C(C)(C)C)=O)N=CC=C1 |
| Synonyms | 2,2-dimethyl-1-(3-methylpyridin-2-yl)propan-1-one,
1248707-89-2,
AKOS011683291,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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