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The molecular formula of the compound is C9H10O4S.
The molecular weight of the compound is 214.24 g/mol.
The IUPAC name of the compound is 2-(2-hydroxyethylsulfinyl)benzoic acid.
The InChI of the compound is InChI=1S/C9H10O4S/c10-5-6-14(13)8-4-2-1-3-7(8)9(11)12/h1-4,10H,5-6H2,(H,11,12).
The InChIKey of the compound is GBUZLIPXKOPXJZ-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C(=C1)C(=O)O)S(=O)CCO.
The ChEMBL ID of the compound is CHEMBL1441468.
The XLogP3-AA value of the compound is -0.2.
There are 2 hydrogen bond donor atoms present in the compound.
There are 5 hydrogen bond acceptor atoms present in the compound.
3-Methylmandelic acid
2-[(2-Hydroxyethyl)thio]benzoic acid
2-Hydroxyethyl 4-hydroxybenzoate
(S)-(+)-2-Hydroxy-2-phenylpropionic acid
(R)-(-)-2-Hydroxy-2-phenylpropionic acid
2-(4-Hydroxyphenyl)propanoic acid
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