| CAS Number | 1249490-07-0 |
| Catalog Number | AG01A4UT(AGN-PC-0WO55S) |
| Chemical Name | 2-(Butan-2-yloxy)pyridine-4-carbonitrile |
| IUPAC Name | 2-butan-2-yloxypyridine-4-carbonitrile |
| InChI | InChI=1S/C10H12N2O/c1-3-8(2)13-10-6-9(7-11)4-5-12-10/h4-6,8H,3H2,1-2H3 |
| InChI Key | PRGOOZYYBRKHKN-UHFFFAOYSA-N |
| MDL Number | MFCD16044002 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CCC(OC1=NC=CC(C#N)=C1)C |
| Synonyms | 2-(butan-2-yloxy)pyridine-4-carbonitrile,
1249490-07-0,
AKOS010126060,
NE25735,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number