1451392-95-2 Purity
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The molecular formula of 2-Formyl-5-isopropylphenylboronic acid is C10H13BO3.
The molecular weight of 2-Formyl-5-isopropylphenylboronic acid is 192.02 g/mol.
The IUPAC name of 2-Formyl-5-isopropylphenylboronic acid is (2-formyl-5-propan-2-ylphenyl)boronic acid.
The InChI key of 2-Formyl-5-isopropylphenylboronic acid is OUMRDYQDMKOJKZ-UHFFFAOYSA-N.
The canonical SMILES of 2-Formyl-5-isopropylphenylboronic acid is B(C1=C(C=CC(=C1)C(C)C)C=O)(O)O.
The CAS number of 2-Formyl-5-isopropylphenylboronic acid is 1451390-89-8.
The hydrogen bond donor count of 2-Formyl-5-isopropylphenylboronic acid is 2.
The hydrogen bond acceptor count of 2-Formyl-5-isopropylphenylboronic acid is 3.
The rotatable bond count of 2-Formyl-5-isopropylphenylboronic acid is 3.
Yes, 2-Formyl-5-isopropylphenylboronic acid is a canonicalized compound.