458532-96-2 Purity
98%
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The molecular formula is C5H5BO4S.
The molecular weight is 171.97 g/mol.
The IUPAC name is 5-boronothiophene-2-carboxylic acid.
The InChI is InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8).
The InChIKey is OQGIKNPOYTVNNF-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CC=C(S1)C(=O)O)(O)O.
The CAS number is 465515-31-5.
The European Community (EC) number is 800-291-1.
The UNII is 44WHT45A52.
Yes, 5-Carboxythiophene-2-boronic acid is a canonicalized compound.
Reference: [1]Kajiwara, Takashi; Higuchi, Masakazu; Yuasa, Akihiro; Higashimura, Hideyuki; Kitagawa, Susumu
[Chemical Communications, 2013, vol. 49, # 89, p. 10459 - 10461]
* For details of the synthesis route, please refer to the original source to ensure accuracy.