| CAS Number | 65907-12-2 |
| Catalog Number | AG01A38Q(AGN-PC-03GOZ0) |
| Chemical Name | 5-acetylpyridine-3-carboxylic acid |
| IUPAC Name | 5-acetylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H7NO3/c1-5(10)6-2-7(8(11)12)4-9-3-6/h2-4H,1H3,(H,11,12) |
| InChI Key | RQMHGAMGCAYIGM-UHFFFAOYSA-N |
| MDL Number | MFCD18256184 |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.1461 |
| SMILES | CC(C1=CC(C(O)=O)=CN=C1)=O |
| Synonyms | 5-acetylpyridine-3-carboxylic acid,
65907-12-2,
3-Pyridinecarboxylic acid, 5-acetyl-,
5-acetylnicotinic acid,
SCHEMBL433567,
CTK1I1393,
DTXSID20618863,
RQMHGAMGCAYIGM-UHFFFAOYSA-N,
ZINC82404135,
AKOS022713811,
Z2760930262,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.148g/mol |
| Monoisotopic Mass | 165.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number