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The molecular formula is C7H12O5.
The molecular weight is 176.17 g/mol.
The IUPAC name is (3S)-5-ethoxy-3-hydroxy-5-oxopentanoic acid.
The InChI is InChI=1S/C7H12O5/c1-2-12-7(11)4-5(8)3-6(9)10/h5,8H,2-4H2,1H3,(H,9,10)/t5-/m0/s1.
The InChIKey is OEJAZOGPPRWZKM-YFKPBYRVSA-N.
The canonical SMILES is CCOC(=O)CC(CC(=O)O)O.
There are 2 hydrogen bond donor counts.
There are 5 hydrogen bond acceptor counts.
There are 6 rotatable bond counts.
The topological polar surface area is 83.8?2.
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