| CAS Number | 1365963-81-0 |
| Catalog Number | AG00HUNV(AGN-PC-0WB62U) |
| Chemical Name | 1,6-Dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| IUPAC Name | 1,6-dimethyl-4-oxopyridine-2-carboxylic acid |
| InChI | InChI=1S/C8H9NO3/c1-5-3-6(10)4-7(8(11)12)9(5)2/h3-4H,1-2H3,(H,11,12) |
| InChI Key | MEAFNJVXTJKASJ-UHFFFAOYSA-N |
| MDL Number | MFCD22056559 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CC1=CC(=O)C=C(N1C)C(=O)O |
| Synonyms | 1,6-Dimethyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid,
1365963-81-0,
1,6-dimethyl-4-oxo-1,4-dihydro-2-pyridinecarboxylic acid,
ALBB-018722,
ZX-AN034445,
ZX-CM010251,
MFCD22056559,
ZINC72362053,
AKOS015997701,
FCH1584571,
Y-8469,
2-pyridinecarboxylic acid, 1,4-dihydro-1,6-dimethyl-4-oxo-,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number