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The molecular formula is C5H5BO3S.
The synonyms are: 2-Formylthiophene-3-boronic acid, 4347-31-3, (2-formylthiophen-3-yl)boronic Acid, 2-Formyl-3-thiopheneboronic acid, 2-formylthiophen-3-ylboronic acid.
The molecular weight is 155.97 g/mol.
The IUPAC name is (2-formylthiophen-3-yl)boronic acid.
The InChI is InChI=1S/C5H5BO3S/c7-3-5-4(6(8)9)1-2-10-5/h1-3,8-9H.
The InChIKey is BBENFHSYKBYWJX-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(SC=C1)C=O)(O)O.
The CAS number is 4347-31-3.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.
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