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The molecular formula is C7H8O3S.
The molecular weight is 172.20 g/mol.
The IUPAC name is 5-(methylsulfanylmethyl)furan-2-carboxylic acid.
The InChI is InChI=1S/C7H8O3S/c1-11-4-5-2-3-6(10-5)7(8)9/h2-3H,4H2,1H3,(H,8,9).
The InChIKey is XGXXQCKZGHPNSE-UHFFFAOYSA-N.
The Canonical SMILES is CSCC1=CC=C(O1)C(=O)O.
The XLogP3-AA value is 1.3.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.
940824-78-2
94082-76-5
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94-08-6
940860-26-4
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