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The molecular formula is C13H12O2S.
The synonyms are 3-methyl-5-p-tolylthiophene-2-carboxylic acid, 947149-26-0, SCHEMBL1021559, and QXPPXGFTRRTFFS-UHFFFAOYSA-N.
The molecular weight is 232.30 g/mol.
The IUPAC name is 3-methyl-5-(4-methylphenyl)thiophene-2-carboxylic acid.
The InChI is InChI=1S/C13H12O2S/c1-8-3-5-10(6-4-8)11-7-9(2)12(16-11)13(14)15/h3-7H,1-2H3,(H,14,15).
The InChIKey is QXPPXGFTRRTFFS-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O).
The XLogP3-AA value is 3.9.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.
94713-30-1
947146-42-1
947-14-8
947149-88-4
947153-64-2
94716-09-3
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