3296-90-0 Purity
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Specification
The molecular formula is C13H9NO5.
It was created on 2005-03-26 and last modified on 2023-12-02.
The IUPAC name is 2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione.
The canonical SMILES is C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O.
The molecular weight is 259.21 g/mol.
The InChIKey is ICDLEMPZXFCQEB-UHFFFAOYSA-N.
It has 5 hydrogen bond acceptor counts.
The topological polar surface area is 80.8Ų.
There are 19 heavy atoms.
The complexity value is 448.
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