CAS
68891-50-9 Purity
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68891-50-9 Purity
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Specification
The molecular formula is C7H6N2O2.
The molecular weight is 150.13 g/mol.
The IUPAC name is 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile.
The InChIKey is YRGYYQCOWUULNF-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=O)NC(=C1C#N)O.
The CAS number is 5444-02-0.
The XLogP3-AA value is 0.
The compound has 2 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.
The topological polar surface area is 73.1 Ų.