99584-85-7 Purity
96%
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Specification
The molecular formula of the compound is C9H9ClO2S.
The molecular weight of the compound is 216.68 g/mol.
The IUPAC name of the compound is 3-(2-chlorophenyl)sulfanylpropanoic acid.
The InChIKey of the compound is NYUNDDKGPQCWPL-UHFFFAOYSA-N.
There is one hydrogen bond donor count in the compound.
The XLogP3-AA value of the compound is 2.6.
There are three hydrogen bond acceptor counts in the compound.
The topological polar surface area of the compound is 62.6 Å2.
There are four rotatable bond count in the compound.
Yes, the compound is canonicalized.