901920-33-0 Purity
96%
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The molecular formula of the compound is C13H16ClNO2.
The molecular weight of the compound is 253.72 g/mol.
The IUPAC name of the compound is 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylic acid.
The InChIKey of the compound is PUGKULNOZQXTSX-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)Cl.
The XLogP3-AA value of the compound is 0.1.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The topological polar surface area of the compound is 40.5 Ų.
Yes, the compound is canonicalized.