CAS
92511-46-1 Purity
96%
92511-46-1 Purity
96%
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Specification
The molecular formula is C13H13NO2.
It was created on 2007-11-13.
The computed IUPAC Name is 6-ethyl-2-methylquinoline-3-carboxylic acid.
The InChIKey is WZUBVPVDDWQDFN-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=CC2=CC(=C(N=C2C=C1)C)C(=O)O.
The computed Molecular Weight is 215.25 g/mol.
The EC Number is 804-477-3.
The XLogP3-AA value is 2.9.
It has 1 Hydrogen Bond Donor Count.
Yes, it is Canonicalized according to PubChem.