CAS
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Specification
The molecular formula is C12H15NO3.
The molecular weight is 221.25 g/mol.
It was created on December 5, 2007.
The IUPAC Name is methyl 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylate.
The InChI is InChI=1S/C12H15NO3/c1-15-9-4-6-10-8(7-9)3-5-11(13-10)12(14)16-2/h4,6-7,11,13H,3,5H2,1-2H3.
The InChIKey is DSKYJEWLFNHBSW-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC2=C(C=C1)NC(CC2)C(=O)OC.
The CAS number is 176641-35-3.
The XLogP3-AA value is 2.2.
Yes, it is considered a canonicalized compound.