| CAS Number | 361979-27-3 |
| Catalog Number | AG01C2WD |
| Chemical Name | 5-Ethyl-6-phenyl-2,3-dihydropyridazin-3-one |
| IUPAC Name | 4-ethyl-3-phenyl-1H-pyridazin-6-one |
| InChI | InChI=1S/C12H12N2O/c1-2-9-8-11(15)13-14-12(9)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,13,15) |
| InChI Key | GQBIHHHKZBNQBN-UHFFFAOYSA-N |
| MDL Number | MFCD16871339 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | CCC1C(C2=CC=CC=C2)=NNC(=O)C=1 |
| Synonyms | 5-ethyl-6-phenyl-2,3-dihydropyridazin-3-one,
361979-27-3,
3(2H)-Pyridazinone, 5-ethyl-6-phenyl-,
ZINC54930809,
AKOS012077914,
Z2301438405,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number