CAS
1451391-73-3 Purity
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1451391-73-3 Purity
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Specification
The molecular formula is C5H5BO4S.
The molecular weight is 171.97 g/mol.
The IUPAC name is 3-boronothiophene-2-carboxylic acid.
The InChI is InChI=1S/C5H5BO4S/c7-5(8)4-3(6(9)10)1-2-11-4/h1-2,9-10H,(H,7,8).
The InChIKey is AJNCKPIBBSWSBY-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(SC=C1)C(=O)O)(O)O.
The CAS number is 5503-74-2.
There are 3 hydrogen bond donor counts.
There are 5 hydrogen bond acceptor counts.