| CAS Number | 468067-87-0 |
| Catalog Number | AG01FN4W(AGN-PC-3H5NCG) |
| Chemical Name | 6-Oxo-1,6-dihydropyridazine-3-carbonitrile |
| IUPAC Name | 6-oxo-1H-pyridazine-3-carbonitrile |
| InChI | InChI=1S/C5H3N3O/c6-3-4-1-2-5(9)8-7-4/h1-2H,(H,8,9) |
| InChI Key | ZZONMTHZRYNTMT-UHFFFAOYSA-N |
| MDL Number | MFCD22491595 |
| Molecular Formula | C5H3N3O |
| Molecular Weight | 121.0968 |
| SMILES | OC1=NN=C(C#N)C=C1 |
| Synonyms | 6-oxo-1,6-dihydropyridazine-3-carbonitrile,
468067-87-0,
SCHEMBL3088585,
ZZONMTHZRYNTMT-UHFFFAOYSA-N,
6-hydroxypyridazine-3-carbonitrile,
MFCD22491595,
ZINC82447371,
AKOS022742894,
AKOS026713752,
DA-05658,
1,6-Dihydro-6-oxo-3-pyridazinecarbonitrile,
6-Oxo-1,6-dihydro-3-pyridazinecarbonitrile,
FT-0736664,
3-Pyridazinecarbonitrile, 1,6-dihydro-6-oxo-,
F1967-2578,
F8886-5458,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.099g/mol |
| Monoisotopic Mass | 121.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number