CAS
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Specification
The molecular formula is C10H9NO3.
The molecular weight is 191.18 g/mol.
The IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)acetic acid.
The InChI is InChI=1S/C10H9NO3/c12-9(13)6-11-5-7-3-1-2-4-8(7)10(11)14/h1-4H,5-6H2,(H,12,13).
The InChIKey is FPVHLXPCDHFPPN-UHFFFAOYSA-N.
The canonical SMILES is C1C2=CC=CC=C2C(=O)N1CC(=O)O.
The CAS number is 39221-42-6.
The EC number is 809-389-9.
Yes, (1-Oxo-1,3-dihydro-isoindol-2-yl)-acetic acid is canonicalized.