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The molecular formula of the compound is C13H15NO3.
The IUPAC name of the compound is 3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid.
The InChI of the compound is InChI=1S/C13H15NO3/c1-8(2)11(13(16)17)14-7-9-5-3-4-6-10(9)12(14)15/h3-6,8,11H,7H2,1-2H3,(H,16,17).
The InChIKey of the compound is JULAETYRRYJIAR-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(C)C(C(=O)O)N1CC2=CC=CC=C2C1=O.
The molecular weight of the compound is 233.26 g/mol.
The XLogP3-AA value of the compound is 1.9.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 3 rotatable bond counts.
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