89943-14-6 Purity
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Specification
The molecular formula of the compound is C9H9BN2O2.
The molecular weight of the compound is 187.99 g/mol.
The IUPAC name of the compound is (6-pyrrol-1-ylpyridin-3-yl)boronic acid.
The InChI of the compound is InChI=1S/C9H9BN2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h1-7,13-14H.
The InChIKey of the compound is FQHQYOZWZHKQCN-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=CN=C(C=C1)N2C=CC=C2)(O)O.
The CAS number of the compound is 899436-83-0.
The hydrogen bond donor count of the compound is 2.
The hydrogen bond acceptor count of the compound is 3.
Yes, the compound is canonicalized.
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