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The molecular formula is C10H12O4S.
The molecular weight is 228.27 g/mol.
The IUPAC name is 3-ethoxy-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid.
The Canonical SMILES is CCOC(=O)C(CC1=CC=CS1)C(=O)O.
The InChIKey is PMJNEQWWZRSFCE-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
It has 5 hydrogen bond acceptor counts.
It has 6 rotatable bond counts.
The exact mass is 228.04563003 g/mol.
Yes, the compound is canonicalized.
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