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The molecular formula is C13H9NO2.
The synonyms are 91804-23-8, METHYL 5-CYANO-2-NAPHTHOATE, METHYL 5-CYANONAPHTHALENE-2-CARBOXYLATE, and METHYL5-CYANO-2-NAPHTHOATE.
The molecular weight is 211.22 g/mol.
It was created on October 30, 2011.
The IUPAC name is methyl 5-cyanonaphthalene-2-carboxylate.
The InChI code is InChI=1S/C13H9NO2/c1-16-13(15)10-5-6-12-9(7-10)3-2-4-11(12)8-14/h2-7H,1H3.
The InChIKey is DCWCNMSLTJKVOY-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC2=C(C=C1)C(=CC=C2)C#N.
The XLogP3-AA value is 2.7.
Yes, it is a canonicalized compound.
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