| CAS Number | 19195-01-8 |
| Catalog Number | AG01DTPP(AGN-PC-0WOVXO) |
| Chemical Name | 6-acetyl-2,3-dihydropyridazin-3-one |
| IUPAC Name | 3-acetyl-1H-pyridazin-6-one |
| InChI | InChI=1S/C6H6N2O2/c1-4(9)5-2-3-6(10)8-7-5/h2-3H,1H3,(H,8,10) |
| InChI Key | IVSOWLPWNPWQOU-UHFFFAOYSA-N |
| MDL Number | MFCD24699383 |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.1240 |
| SMILES | O=C1C=CC(C(C)=O)=NN1 |
| Synonyms | 19195-01-8,
6-acetyl-2,3-dihydropyridazin-3-one,
6-Acetylpyridazin-3(2H)-one,
3(2H)-Pyridazinone, 6-acetyl-,
SCHEMBL3603082,
SCHEMBL13159667,
ZINC82447437,
AKOS022742938,
MCULE-2778815200,
1-(6-Hydroxypyridazin-3-yl)ethan-1-one,
Z1860991499,
NE21650,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.126g/mol |
| Monoisotopic Mass | 138.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number