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The molecular formula of 2,4,6-Trimethylphenylboronic acid is C9H13BO2.
The molecular weight of 2,4,6-Trimethylphenylboronic acid is 164.01 g/mol.
The IUPAC name of 2,4,6-Trimethylphenylboronic acid is (2,4,6-trimethylphenyl)boronic acid.
The InChI of 2,4,6-Trimethylphenylboronic acid is InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3.
The InChIKey of 2,4,6-Trimethylphenylboronic acid is BZXQRXJJJUZZAJ-UHFFFAOYSA-N.
The canonical SMILES of 2,4,6-Trimethylphenylboronic acid is B(C1=C(C=C(C=C1C)C)C)(O)O.
The CAS number of 2,4,6-Trimethylphenylboronic acid is 5980-97-2.
The hydrogen bond donor count of 2,4,6-Trimethylphenylboronic acid is 2.
The hydrogen bond acceptor count of 2,4,6-Trimethylphenylboronic acid is 2.
The rotatable bond count of 2,4,6-Trimethylphenylboronic acid is 1.
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