91567-45-2 Purity
96%
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Specification
The molecular formula of the compound is C12H11NO2.
The molecular weight of the compound is 201.22 g/mol.
The IUPAC name of the compound is 1-(2-ethylphenyl)pyrrole-2,5-dione.
The InChI code of the compound is InChI=1S/C12H11NO2/c1-2-9-5-3-4-6-10(9)13-11(14)7-8-12(13)15/h3-8H,2H2,1H3.
The InChIKey of the compound is GZNWHPFWQMQXII-UHFFFAOYSA-N.
The canonical SMILES of the compound is CCC1=CC=CC=C1N2C(=O)C=CC2=O.
The CAS number of the compound is 91569-16-3.
The European Community (EC) number of the compound is 635-620-6.
The XLogP3 value of the compound is 1.
Yes, the compound is canonicalized.