108847-76-3 Purity
95%
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The molecular formula of 4-Cyano-2,6-dimethylphenylboronic acid is C9H10BNO2.
The molecular weight of 4-Cyano-2,6-dimethylphenylboronic acid is 174.99 g/mol.
The IUPAC Name of 4-Cyano-2,6-dimethylphenylboronic acid is (4-cyano-2,6-dimethylphenyl)boronic acid.
The InChI of 4-Cyano-2,6-dimethylphenylboronic acid is InChI=1S/C9H10BNO2/c1-6-3-8(5-11)4-7(2)9(6)10(12)13/h3-4,12-13H,1-2H3.
The InChIKey of 4-Cyano-2,6-dimethylphenylboronic acid is JTJKZJPBCISPOI-UHFFFAOYSA-N.
The canonical SMILES of 4-Cyano-2,6-dimethylphenylboronic acid is B(C1=C(C=C(C=C1C)C#N)C)(O)O.
The CAS number of 4-Cyano-2,6-dimethylphenylboronic acid is 1451391-43-7.
The hydrogen bond donor count of 4-Cyano-2,6-dimethylphenylboronic acid is 2.
The hydrogen bond acceptor count of 4-Cyano-2,6-dimethylphenylboronic acid is 3.
The topological polar surface area of 4-Cyano-2,6-dimethylphenylboronic acid is 64.2Ų.