| CAS Number | 144152-23-8 |
| Catalog Number | AG01ACR9(AGN-PC-03F8H9) |
| Chemical Name | 5-Ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 5-ethyl-1-methyl-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO3/c1-3-6-4-7(9(12)13)5-10(2)8(6)11/h4-5H,3H2,1-2H3,(H,12,13) |
| InChI Key | ZGECEPWDLKQSCH-UHFFFAOYSA-N |
| MDL Number | MFCD20654030 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CCC1C(=O)N(C)C=C(C(O)=O)C=1 |
| Synonyms | 5-ethyl-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
144152-23-8,
SCHEMBL3163591,
ZINC95883541,
AKOS026728710,
NE40491,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 2 |
| 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