| CAS Number | 81450-71-7 |
| Catalog Number | AG01BJKX(AGN-PC-0WON5D) |
| Chemical Name | 6-cyano-1,2-dihydro-2-oxo-3-Pyridinecarboxylic acid |
| IUPAC Name | 6-cyano-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H4N2O3/c8-3-4-1-2-5(7(11)12)6(10)9-4/h1-2H,(H,9,10)(H,11,12) |
| InChI Key | WQINTPBNSCVLQT-UHFFFAOYSA-N |
| MDL Number | MFCD18803027 |
| Molecular Formula | C7H4N2O3 |
| Molecular Weight | 164.1183 |
| SMILES | N#CC1NC(=O)C(C(O)=O)=CC=1 |
| Synonyms | 81450-71-7,
3-Pyridinecarboxylic acid, 6-cyano-1,2-dihydro-2-oxo-,
6-Cyano-2-hydroxynicotinic acid,
ZINC39342084,
AKOS022636690,
6-Cyano-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.12g/mol |
| Monoisotopic Mass | 164.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number