| CAS Number | 1569650-86-7 |
| Catalog Number | AG01B9LB |
| Chemical Name | 1-(2-methoxyethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)-6-methyl-4-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO4/c1-7-5-9(12)8(10(13)14)6-11(7)3-4-15-2/h5-6H,3-4H2,1-2H3,(H,13,14) |
| InChI Key | VJJNKAGJSPUHAM-UHFFFAOYSA-N |
| MDL Number | MFCD28383910 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COCCN1C(C)=CC(=O)C(C(O)=O)=C1 |
| Synonyms | 1-(2-methoxyethyl)-6-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid,
1569650-86-7,
SCHEMBL15485807,
VJJNKAGJSPUHAM-UHFFFAOYSA-N,
AKOS033742733,
ZINC148750943,
Z2028214390,
1-(2-methoxy-ethyl)-6-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number