| CAS Number | 862507-32-2 |
| Catalog Number | AG019WYB(AGN-PC-04PELE) |
| Chemical Name | 2-(Propan-2-yloxy)pyridine-4-carbonitrile |
| IUPAC Name | 2-propan-2-yloxypyridine-4-carbonitrile |
| InChI | InChI=1S/C9H10N2O/c1-7(2)12-9-5-8(6-10)3-4-11-9/h3-5,7H,1-2H3 |
| InChI Key | PBRCXGUPUATFNN-UHFFFAOYSA-N |
| MDL Number | MFCD09930559 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CC(OC1=NC=CC(C#N)=C1)C |
| Synonyms | 2-(propan-2-yloxy)pyridine-4-carbonitrile,
862507-32-2,
AC1Q1QQX,
2-Isopropoxyisonicotinonitrile,
SCHEMBL3924934,
CTK6B1008,
PBRCXGUPUATFNN-UHFFFAOYSA-N,
ZINC19430083,
AKOS000170673,
MCULE-6816859827,
NE42101,
4-Pyridinecarbonitrile, 2-(1-methylethoxy)-,
EN300-53503,
4-Pyridinecarbonitrile, 2-(1-methylethoxy),
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number