CAS
727388-68-3 Purity
97%
727388-68-3 Purity
97%
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Specification
The molecular formula is C7H6N2O.
The molecular weight is 134.14 g/mol.
The IUPAC name is 5-methyl-2-oxo-1H-pyridine-3-carbonitrile.
The InChIKey is GKYJTSJLGDBJKC-UHFFFAOYSA-N.
The canonical SMILES is CC1=CNC(=O)C(=C1)C#N.
The XLogP3-AA value is 0.1.
There is 1 hydrogen bond donor count.
There are 0 rotatable bond counts.
The topological polar surface area is 52.9 Ų.
Yes, the compound is canonicalized.