| CAS Number | 110462-49-2 |
| Catalog Number | AG01B8VO |
| Chemical Name | ethyl 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylate |
| IUPAC Name | ethyl 3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxylate |
| InChI | InChI=1S/C9H12N2O3/c1-4-14-9(13)7-5(2)6(3)10-11-8(7)12/h4H2,1-3H3,(H,11,12) |
| InChI Key | AJYBSDYGONTUDL-UHFFFAOYSA-N |
| MDL Number | MFCD23721978 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CCOC(C1C(=O)NN=C(C)C=1C)=O |
| Synonyms | ethyl 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carboxylate,
110462-49-2,
SCHEMBL20338259,
ZINC45158324,
AKOS017350208,
F1967-2920,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number