| CAS Number | 10561-89-4 |
| Catalog Number | AG0092RT(AGN-PC-0WAL0I) |
| Chemical Name | 1-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-methyl-4-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c1-8-3-2-6(9)5(4-8)7(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | NYPMLQVMDQQNIL-UHFFFAOYSA-N |
| MDL Number | MFCD12403597 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | CN1C=C(C(C=C1)=O)C(=O)O |
| Synonyms | 1-methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid,
10561-89-4,
1-?methyl-?4-?oxo-?1,?4-?dihydro-?pyridine-?3-?carboxylic acid,
1-methyl-4-oxo-1,4-dihydro-pyridine-3-carboxylic acid,
1-methyl-4-oxopyridine-3-carboxylic acid,
SCHEMBL3463544,
STL490559,
ZINC70453995,
AKOS005362499,
1218915-45-7,
ACN-040634,
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| Complexity | 265 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.137g/mol |
| Monoisotopic Mass | 153.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number