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The molecular formula of the compound is C13H11NO.
The molecular weight of the compound is 197.23 g/mol.
The IUPAC name of the compound is 1-hydroxy-4-phenylcyclohexa-2,4-diene-1-carbonitrile.
The InChI of the compound is InChI=1S/C13H11NO/c14-10-13(15)8-6-12(7-9-13)11-4-2-1-3-5-11/h1-8,15H,9H2.
The InChIKey of the compound is YUVYQNWFSWWBCC-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1C=C(C=CC1(C#N)O)C2=CC=CC=C2.
The XLogP3-AA value of the compound is 2.
The compound has 1 hydrogen bond donor count.
The compound has 2 hydrogen bond acceptor counts.
The compound has 1 rotatable bond count.
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