90829-84-8 Purity
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Specification
The molecular formula is C21H14N2O2.
It was created on July 19, 2005, and last modified on December 30, 2023.
The IUPAC name is 2,3-diphenylquinoxaline-5-carboxylic acid.
The InChI is InChI=1S/C21H14N2O2/c24-21(25)16-12-7-13-17-20(16)23-19(15-10-5-2-6-11-15)18(22-17)14-8-3-1-4-9-14/h1-13H,(H,24,25).
The InChIKey is HGAMBOCHRTYBBO-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=NC3=CC=CC(=C3N=C2C4=CC=CC=C4)C(=O)O.
The molecular weight is 326.3 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 63.1 Ų.
Yes, the compound is canonicalized in PubChem.
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