1072952-53-4 Purity
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The molecular formula is C11H8O2S.
The molecular weight is 204.25 g/mol.
The synonyms are 4-(Thiophen-2-yl)benzoic acid, 29886-62-2, 4-thiophen-2-yl-benzoic acid, and 4-Thiophen-2-ylbenzoic acid.
The IUPAC name is 4-thiophen-2-ylbenzoic acid.
The InChI is InChI=1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13).
The InChIKey is CVDUBQJEQNRCIZ-UHFFFAOYSA-N.
The canonical SMILES is C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O.
The CAS number is 300816-11-9.
The XLogP3 value is 3.3.
Yes, it is a canonicalized compound.