87117-22-4 Purity
96%
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Specification
The molecular formula of the compound is C9H9IO2.
The molecular weight of the compound is 276.07 g/mol.
The IUPAC name of the compound is 3-(2-iodophenyl)propanoic acid.
The InChI of the compound is InChI=1S/C9H9IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12).
The InChIKey of the compound is POJTZKMVSQVKNR-UHFFFAOYSA-N.
The CAS number of the compound is 96606-95-0.
The XLogP3-AA value of the compound is 2.3.
The compound has 1 hydrogen bond donor count.
The compound has 2 hydrogen bond acceptor counts.
The topological polar surface area of the compound is 37.3Ų.