| CAS Number | 66909-28-2 |
| Catalog Number | AG01E8G4(AGN-PC-0NIEOS) |
| Chemical Name | 4-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 4-methyl-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c1-4-2-6(9)8-3-5(4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11) |
| InChI Key | CXTGOSOLYGNUHA-UHFFFAOYSA-N |
| MDL Number | MFCD18803547 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | CC=1C(=CNC(C1)=O)C(=O)O |
| Synonyms | 4-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
66909-28-2,
6-HYDROXY-4-METHYLNICOTINIC ACID,
SCHEMBL5336718,
SCHEMBL11322639,
CXTGOSOLYGNUHA-UHFFFAOYSA-N,
ZINC39202806,
AKOS022634949,
AKOS022634956,
AB65757,
MCULE-3896520970,
NE30942,
RP21697,
SC-68697,
Z1429378656,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.137g/mol |
| Monoisotopic Mass | 153.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number