| CAS Number | 1211535-68-0 |
| Catalog Number | AG01FL7N(AGN-PC-3H4B2I) |
| Chemical Name | 1-(5,6-Dimethylpyridin-3-yl)ethanone |
| IUPAC Name | 1-(5,6-dimethylpyridin-3-yl)ethanone |
| InChI | InChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-10-7(6)2/h4-5H,1-3H3 |
| InChI Key | OKBQIMWZTMCYPB-UHFFFAOYSA-N |
| MDL Number | MFCD18262053 |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.1897 |
| SMILES | CC=1C=C(C=NC1C)C(C)=O |
| Synonyms | 1211535-68-0,
1-(5,6-DIMETHYLPYRIDIN-3-YL)ETHANONE,
SCHEMBL6628143,
AKOS032952402,
AB75410,
1-(5,6-DIMETHYLPYRIDIN-3-YL)ETHAN-1-ONE,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.193g/mol |
| Monoisotopic Mass | 149.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number