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The molecular formula is C10H10O2S.
The synonyms are 4-MERCAPTOCINNAMIC ACID METHYL ESTER, 90843-37-1, SCHEMBL3031797, and AKOS006276285.
The molecular weight is 194.25 g/mol.
The IUPAC name is methyl (E)-3-(4-sulfanylphenyl)prop-2-enoate.
The InChI is InChI=1S/C10H10O2S/c1-12-10(11)7-4-8-2-5-9(13)6-3-8/h2-7,13H,1H3/b7-4+.
The InChIKey is PTHBLFORUKMDES-QPJJXVBHSA-N.
The canonical SMILES is COC(=O)C=CC1=CC=C(C=C1)S.
The isomeric SMILES is COC(=O)/C=C/C1=CC=C(C=C1)S.
The XLogP3 value is 2.8.
Yes, 4-Mercaptocinnamic acid methyl ester is a canonicalized compound.
90842-73-2
90842-92-5
90843-12-2
90843-62-2
90844-35-2
90845-56-0
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