| CAS Number | 1394957-41-5 |
| Catalog Number | AG01B591 |
| Chemical Name | 3-(propan-2-yloxy)pyridine-2-carbonitrile |
| IUPAC Name | 3-propan-2-yloxypyridine-2-carbonitrile |
| InChI | InChI=1S/C9H10N2O/c1-7(2)12-9-4-3-5-11-8(9)6-10/h3-5,7H,1-2H3 |
| InChI Key | HXOCATSKQQJRCR-UHFFFAOYSA-N |
| MDL Number | MFCD23113673 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CC(OC1=C(C#N)N=CC=C1)C |
| Synonyms | 3-isopropoxypicolinonitrile,
1394957-41-5,
3-(propan-2-yloxy)pyridine-2-carbonitrile,
AKOS020175957,
ZINC130104568,
F2147-2392,
|
| 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 |
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Certificate of Analysis
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