94017-79-5 Purity
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The molecular formula of the compound is C9H5NO2.
The molecular weight of the compound is 159.14 g/mol.
The IUPAC name of the compound is 7-hydroxy-1-benzofuran-4-carbonitrile.
The InChI of the compound is InChI=1S/C9H5NO2/c10-5-6-1-2-8(11)9-7(6)3-4-12-9/h1-4,11H.
The InChIKey of the compound is IHEPXSKQOUHQKN-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C2C(=C1C#N)C=CO2)O.
The XLogP3-AA value of the compound is 1.7.
There is 1 hydrogen bond donor atom present in the compound.
There are 3 hydrogen bond acceptor atoms present in the compound.
There are 0 rotatable bonds present in the compound.