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Specification
The molecular formula is C14H17NO2.
The synonyms are 3-Butyl-4-hydroxy-1-methylquinolin-2(1H)-one and Oprea1_394839.
The molecular weight is 231.29 g/mol.
The compound was created on December 26, 2011, and last modified on November 25, 2023.
The IUPAC name of the compound is 3-butyl-4-hydroxy-1-methylquinolin-2-one.
The InChI of the compound is InChI=1S/C14H17NO2/c1-3-4-7-11-13(16)10-8-5-6-9-12(10)15(2)14(11)17/h5-6,8-9,16H,3-4,7H2,1-2H3.
The InChIKey of the compound is UGSGKYKRLRQHBS-UHFFFAOYSA-N.
The canonical SMILES of the compound is CCCCC1=C(C2=CC=CC=C2N(C1=O)C)O.
The XLogP3-AA value of the compound is 2.8.
The topological polar surface area of the compound is 40.5 Ų.