| CAS Number | 169237-37-0 |
| Catalog Number | AG01C73M(AGN-PC-0AAT0D) |
| Chemical Name | 3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid |
| IUPAC Name | 3-hydroxy-1-methyl-2-oxopyridine-4-carboxylic acid |
| InChI | InChI=1S/C7H7NO4/c1-8-3-2-4(7(11)12)5(9)6(8)10/h2-3,9H,1H3,(H,11,12) |
| InChI Key | AUTKTIRQKUQXTL-UHFFFAOYSA-N |
| MDL Number | MFCD20640432 |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.1348 |
| SMILES | CN1C(=O)C(O)=C(C(O)=O)C=C1 |
| Synonyms | 3-Hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid,
169237-37-0,
SCHEMBL2239237,
AUTKTIRQKUQXTL-UHFFFAOYSA-N,
ZINC82401667,
AKOS022711757,
4-Carboxy-1-methyl-3-hydroxy-2(1H)-pyridinone,
1,2-Dihydro-1-methyl-2-oxo-3-hydroxypyridine-4-carboxylic acid,
CID10975895,
4-(dihydroxymethylidene)-1-methyl-pyridine-2,3-dione,
|
| Complexity | 303 |
| 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 | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number