| CAS Number | 87853-70-1 |
| Catalog Number | AG00GSHP(AGN-PC-09TBIC) |
| Chemical Name | 1,2-Dihydro-4-Methoxy-2-oxo-3-pyridinecarboxylic acid |
| IUPAC Name | 4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO4/c1-12-4-2-3-8-6(9)5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11) |
| InChI Key | BERLCVCBOXAQDJ-UHFFFAOYSA-N |
| MDL Number | MFCD20654516 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | O=C(C1=C(OC)C=CNC1=O)O |
| Synonyms | 87853-70-1,
4-Methoxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid,
SCHEMBL10762448,
SCHEMBL19377843,
3-carboxy-4-methoxy-2-pyridone,
DTXSID70702423,
2859AJ,
ZINC13526051,
AKOS026742587,
MCULE-2836700358,
Z-7189,
Z1824482611,
3-Pyridinecarboxylic acid, 1,2-dihydro-4-methoxy-2-oxo-,
C7H7NO4,
1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarboxylic acid,
|
| 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 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number