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Specification
The molecular formula is C10H11NO2.
The synonyms are 1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, 116140-19-3, 1,2,3,4-tetrahydro-isoquinoline-4-carboxylic acid, and 4-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-.
The molecular weight is 177.20 g/mol.
The IUPAC name is 1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid.
The InChI of 1,2,3,4-Tetrahydroisoquinoline-4-carboxylic acid is InChI=1S/C10H11NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6H2,(H,12,13).
The InChIKey of 1,2,3,4-Tetrahydroisoquinoline-4-carboxylic acid is UZNKRPSOIPMUBF-UHFFFAOYSA-N.
The canonical SMILES is C1C(C2=CC=CC=C2CN1)C(=O)O.
The CAS number is 116140-19-3.
Yes, 1,2,3,4-Tetrahydroisoquinoline-4-carboxylic acid is canonicalized according to PubChem.