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The molecular formula of the compound is C13H13NO3.
The IUPAC name of the compound is 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid.
The InChI of the compound is InChI=1S/C13H13NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-7,12H,8H2,1H3,(H,16,17).
The InChIKey of the compound is OVJMQMJXWCLLKF-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)O.
The CAS number of the compound is 58246-00-7.
The European Community (EC) number of the compound is 824-723-3.
The molecular weight of the compound is 231.25 g/mol.
There is 1 hydrogen bond donor atom in the compound.
The topological polar surface area of the compound is 57.6Ų.
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