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Specification
PubChem CID 21888155.
The molecular formula is C10H11NO2.
The synonyms include 933752-32-0, 1,2,3,4-Tetrahydro-isoquinoline-6-carboxylic acid, MFCD09027511, and 1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXYLICACID.
The molecular weight is 177.20 g/mol.
The IUPAC name is 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid.
The InChI code is InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13).
The InChIKey is QEMYLDYQDFRTRT-UHFFFAOYSA-N.
The canonical SMILES is C1CNCC2=C1C=C(C=C2)C(=O)O.
The XLogP3-AA value is -1.4.
The topological polar surface area is 49.3Ų.