| CAS Number | 101861-29-4 |
| Catalog Number | AG018GY5(AGN-PC-0WOD29) |
| Chemical Name | 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid |
| IUPAC Name | 3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxylic acid |
| InChI | InChI=1S/C7H8N2O3/c1-3-4(2)8-9-6(10)5(3)7(11)12/h1-2H3,(H,9,10)(H,11,12) |
| InChI Key | PEEUHPHVIGBEJW-UHFFFAOYSA-N |
| MDL Number | MFCD10686669 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | CC1C(C)=C(C(O)=O)C(=O)NN=1 |
| Synonyms | 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid,
101861-29-4,
3-hydroxy-5,6-dimethylpyridazine-4-carboxylic acid,
AC1Q2Q3Q,
CTK7I6104,
ZINC20280880,
AKOS009097743,
AKOS026730301,
MCULE-5112062734,
NE25429,
EN300-29220,
F2147-1145,
F8881-6378,
Z367678716,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number