| CAS Number | 926240-25-7 |
| Catalog Number | AG01EKIP |
| Chemical Name | 1-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-8-2-4-9(5-3-8)14-11(15)7-6-10(13-14)12(16)17/h2-5H,6-7H2,1H3,(H,16,17) |
| InChI Key | NPJJMDWUAFCOCO-UHFFFAOYSA-N |
| MDL Number | MFCD08442087 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CC1=CC=C(N2C(=O)CCC(C(O)=O)=N2)C=C1 |
| Synonyms | 1-(4-METHYLPHENYL)-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID,
CTK7I6011,
AKOS000124951,
6-oxo-1-p-tolyl-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,
926240-25-7,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number