| CAS Number | 1282073-48-6 |
| Catalog Number | AG01A32T |
| Chemical Name | 1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C14H13NO3/c1-9-3-5-12(7-10(9)2)15-8-11(14(17)18)4-6-13(15)16/h3-8H,1-2H3,(H,17,18) |
| InChI Key | RZPGDKBBSQNSSH-UHFFFAOYSA-N |
| MDL Number | MFCD16519169 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | CC1=C(C)C=C(N2C(=O)C=CC(C(O)=O)=C2)C=C1 |
| Synonyms | 1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1282073-48-6,
ZINC49853268,
AKOS010997289,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number