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The molecular formula is C11H11NO2.
The molecular weight is 189.21 g/mol.
The IUPAC name is 4-(3-formylphenoxy)butanenitrile.
The InChI is InChI=1S/C11H11NO2/c12-6-1-2-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,1-2,7H2.
The InChIKey is UQSURVXPSLHIFQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)OCCCC#N)C=O.
The XLogP3-AA value is 1.4.
The compound has 0 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor count.
The compound has 5 rotatable bond count.
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