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Specification
The molecular formula of the compound is C14H9NO2.
The molecular weight of the compound is 223.23 g/mol.
The IUPAC name of the compound is 4-(2-formylphenoxy)benzonitrile.
The InChI of the compound is InChI=1S/C14H9NO2/c15-9-11-5-7-13(8-6-11)17-14-4-2-1-3-12(14)10-16/h1-8,10H.
The InChIKey of the compound is PHXACBMAMQKNJM-UHFFFAOYSA-N.
The Canonical SMILES of the compound is C1=CC=C(C(=C1)C=O)OC2=CC=C(C=C2)C#N.
The CAS number of the compound is 478043-88-8.
The XLogP3 value of the compound is 3.
The compound has 0 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.