| CAS Number | 1248102-78-4 |
| Catalog Number | AG009WQZ(AGN-PC-0WA6BZ) |
| Chemical Name | 2-Butanoyl-3-picoline |
| IUPAC Name | 1-(3-methylpyridin-2-yl)butan-1-one |
| InChI | InChI=1S/C10H13NO/c1-3-5-9(12)10-8(2)6-4-7-11-10/h4,6-7H,3,5H2,1-2H3 |
| InChI Key | SCPMQBUTISBDNT-UHFFFAOYSA-N |
| MDL Number | MFCD16087793 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | CCCC(=O)c1ncccc1C |
| Synonyms | 2-Butanoyl-3-picoline,
1248102-78-4,
1-(3-methylpyridin-2-yl)butan-1-one,
KM3832,
ZINC43616266,
AKOS010984299,
Z8832,
C10H13NO,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number