CAS
1256355-28-8 Purity
97%
1256355-28-8 Purity
97%
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Specification
The molecular formula is C14H15BO3.
The molecular weight is 242.08 g/mol.
The IUPAC name is (4-methyl-3-phenylmethoxyphenyl)boronic acid.
The InChI is InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3.
The InChIKey is NJDWFMZIGIGFTM-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C)OCC2=CC=CC=C2)(O)O.
The CAS number is 1256355-31-3.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.