| CAS Number | 435273-36-2 |
| Catalog Number | AG01A2PK(AGN-PC-0WO1XH) |
| Chemical Name | 6-(Tert-butoxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxy]pyridine-3-carbonitrile |
| InChI | InChI=1S/C10H12N2O/c1-10(2,3)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3 |
| InChI Key | BQRIHOKZPGJPDC-UHFFFAOYSA-N |
| MDL Number | MFCD11196882 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CC(OC1=NC=C(C#N)C=C1)(C)C |
| Synonyms | 6-(tert-butoxy)pyridine-3-carbonitrile,
435273-36-2,
SCHEMBL3813279,
ZINC20514092,
AKOS009262174,
NE45074,
|
| Complexity | 211 |
| 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 | 2 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number