| CAS Number | 1123169-29-8 |
| Catalog Number | AG008VFE(AGN-PC-0WB57J) |
| Chemical Name | 6-Ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-4-8-6(2)5-7(10(13)14)9(12)11(8)3/h5H,4H2,1-3H3,(H,13,14) |
| InChI Key | TYOHYLWEDVTHHK-UHFFFAOYSA-N |
| MDL Number | MFCD12030938 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | C(C)C1=C(C=C(C(N1C)=O)C(=O)O)C |
| Synonyms | 1123169-29-8,
6-ETHYL-1,5-DIMETHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID,
6-Ethyl-1,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
DTXSID20653239,
ZX-CM007005,
FCH923456,
MFCD12030938,
ZINC29865951,
AKOS006343565,
AJ-83824,
Y-7028,
6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid(SALTDATA,
6-ethyl-1,5-dimethyl-2-oxopyridine-3-carboxylic acid,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number