179897-94-0 Purity
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Specification
The molecular formula is C8H11BO4.
The molecular weight is 181.98 g/mol.
The IUPAC name is (3,5-dimethoxyphenyl)boronic acid.
The InChI code is InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3.
The InChIKey is XUIURRYWQBBCCK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=CC(=C1)OC)OC)(O)O.
The CAS number is 192182-54-0.
The European Community (EC) Number is 679-693-2.
The molecular weight is 181.98 g/mol.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
The rotatable bond count is 3.
Yes, it is a canonicalized compound.