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The molecular formula of the compound is C9H9ClO4S.
The synonyms of the compound are:1. 3-[(4-Chlorophenyl)sulfonyl]propanoic acid2. 3-(4-Chloro-benzenesulfonyl)-propionic acid3. 3-((4-chlorophenyl)sulfonyl)propanoic acid4. 3-(4-chlorophenyl)sulfonylpropanoic acid
The molecular weight of the compound is 248.68 g/mol.
The IUPAC name of the compound is 3-(4-chlorophenyl)sulfonylpropanoic acid.
The InChI of the compound is InChI=1S/C9H9ClO4S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H,11,12).
The InChIKey of the compound is ZEYRBFCQZXZIQU-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1S(=O)(=O)CCC(=O)O)Cl.
The CAS number of the compound is 90396-00-2.
The hydrogen bond donor count of the compound is 1.
The hydrogen bond acceptor count of the compound is 4.
9039-53-6
90395-45-2
90395-47-4
90396-02-4
90396-06-8
9039-61-6
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