| CAS Number | 1267956-49-9 |
| Catalog Number | AG01BJK3 |
| Chemical Name | 1-cyclopropyl-2-oxopyridine-3-carbonitrile |
| IUPAC Name | 1-cyclopropyl-2-oxopyridine-3-carbonitrile |
| InChI | InChI=1S/C9H8N2O/c10-6-7-2-1-5-11(9(7)12)8-3-4-8/h1-2,5,8H,3-4H2 |
| InChI Key | ABJDCTFTNZTPKU-UHFFFAOYSA-N |
| MDL Number | MFCD19313330 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.1726 |
| SMILES | O=C1N(C2CC2)C=CC=C1C#N |
| Synonyms | 1-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile,
1267956-49-9,
ZINC49804716,
AKOS022341856,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.176g/mol |
| Monoisotopic Mass | 160.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number