91672-23-0 Purity
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The PubChem CID is 45122650.
The molecular formula is C9H6N2O.
Some synonyms include 5-aminobenzofuran-2-carbonitrile, 916737-84-3, and SCHEMBL3999399.
The molecular weight is 158.16 g/mol.
The IUPAC name is 5-amino-1-benzofuran-2-carbonitrile.
The InChI is InChI=1S/C9H6N2O/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4H,11H2.
The InChIKey is UCCXRMZSRHGTSP-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1N)C=C(O2)C#N.
The XLogP3-AA value is 1.7.
Yes, 2-Benzofurancarbonitrile,5-amino is canonicalized.