CAS
95211-71-5 Purity
96%
95211-71-5 Purity
96%
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The molecular formula is C8H9NO3.
The molecular weight is 167.16 g/mol.
The IUPAC name is 1-acetyl-3-hydroxy-2-methylpyridin-4-one.
The InChI is InChI=1S/C8H9NO3/c1-5-8(12)7(11)3-4-9(5)6(2)10/h3-4,12H,1-2H3.
The InChIKey is UDHHAYBCAFRVOH-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=O)C=CN1C(=O)C)O.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
It has 0 rotatable bond counts.
Yes, the compound is canonicalized.