| CAS Number | 917872-34-5 |
| Catalog Number | AG00IGVJ(AGN-PC-0C1CUP) |
| Chemical Name | 2-Propanoyl-3-picoline |
| IUPAC Name | 1-(3-methylpyridin-2-yl)propan-1-one |
| InChI | InChI=1S/C9H11NO/c1-3-8(11)9-7(2)5-4-6-10-9/h4-6H,3H2,1-2H3 |
| InChI Key | DBAMXXXFQSQXMV-UHFFFAOYSA-N |
| MDL Number | MFCD16087790 |
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.1897 |
| SMILES | CCC(C1=C(C)C=CC=N1)=O |
| Synonyms | 917872-34-5,
2-Propanoyl-3-picoline,
1-(3-METHYLPYRIDIN-2-YL)PROPAN-1-ONE,
1-Propanone, 1-(3-methyl-2-pyridinyl)-,
SCHEMBL5312789,
CTK3H9594,
DTXSID30727899,
KM3059,
ZINC43616260,
AKOS010984074,
CJ-20393,
V9138,
Z1966397081,
C9H11NO,
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| Complexity | 145 |
| 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 | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number