| CAS Number | 1352318-05-8 |
| Catalog Number | AG009X17(AGN-PC-0WA7UJ) |
| Chemical Name | 3,6-Dicyanopicoline |
| IUPAC Name | 6-methylpyridine-2,5-dicarbonitrile |
| InChI | InChI=1S/C8H5N3/c1-6-7(4-9)2-3-8(5-10)11-6/h2-3H,1H3 |
| InChI Key | CAEXTFJYUABOTC-UHFFFAOYSA-N |
| MDL Number | MFCD20529525 |
| Molecular Formula | C8H5N3 |
| Molecular Weight | 143.1454 |
| SMILES | N#Cc1ccc(c(n1)C)C#N |
| Synonyms | 3,6-Dicyanopicoline,
1352318-05-8,
MFCD20529525,
ZINC74937909,
Z9851,
B-9190,
C8H5N3,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.149g/mol |
| Monoisotopic Mass | 143.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number