| CAS Number | 57658-59-0 |
| Catalog Number | AG01C98P |
| Chemical Name | 4-Methoxy-6-Oxo-1,6-Dihydropyridine-3-Carboxylic Acid |
| IUPAC Name | 4-methoxy-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO4/c1-12-5-2-6(9)8-3-4(5)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11) |
| InChI Key | DXIKTCXFMVJJCY-UHFFFAOYSA-N |
| MDL Number | MFCD28667427 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | COC=1C(=CNC(C1)=O)C(=O)O |
| Synonyms | 57658-59-0,
4-methoxy-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
SCHEMBL11590515,
SCHEMBL20606051,
3-Pyridinecarboxylic acid, 1,6-dihydro-4-methoxy-6-oxo-,
AKOS022968257,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.136g/mol |
| Monoisotopic Mass | 169.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number