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The molecular formula of the compound is C9H9F3O.
The IUPAC name of the compound is 5-methyl-2-(2,2,2-trifluoroethyl)phenol.
The InChI of the compound is InChI=1S/C9H9F3O/c1-6-2-3-7(8(13)4-6)5-9(10,11)12/h2-4,13H,5H2,1H3.
The InChIKey of the compound is SPXRHWBLPFHERV-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=CC(=C(C=C1)CC(F)(F)F)O.
The CAS number of the compound is 935534-22-8.
The molecular weight of the compound is 190.16 g/mol.
The XLogP3 value of the compound is 3.3.
The compound has 1 hydrogen bond donor count.
The compound has 4 hydrogen bond acceptor counts.
935534-19-3
935534-20-6
935534-21-7
935534-24-0
935534-30-8
935534-31-9
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