CAS
942190-81-0 Purity
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942190-81-0 Purity
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Specification
The molecular formula is C8H9BO4.
The molecular weight is 179.97 g/mol.
It was created on July 19, 2005.
The IUPAC Name is (3-formyl-4-methoxyphenyl)boronic acid.
The InChI is InChI=1S/C8H9BO4/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-5,11-12H,1H3.
The InChIKey is YJQDBKGGRPJSOI-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)OC)C=O)(O)O.
The CAS number is 121124-97-8.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.