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The molecular formula is C13H12O3S.
The molecular weight is 248.30 g/mol.
The IUPAC name is phenyl 2-methylbenzenesulfonate.
The InChI is InChI=1S/C13H12O3S/c1-11-7-5-6-10-13(11)17(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3.
The InChIKey is ODOPFDLFKUKZCU-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC=CC=C1S(=O)(=O)OC2=CC=CC=C2.
The XLogP3-AA value is 3.4.
It has 3 hydrogen bond receptor counts.
The topological polar surface area is 51.8 Ų.
Yes, it is a canonicalized compound.
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