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Specification
The molecular formula of 1-Amino-4-phenylcyclohexanecarboxylic acid is C13H17NO2.
The PubChem CID of 1-Amino-4-phenylcyclohexanecarboxylic acid is 22145292.
The IUPAC name of 1-Amino-4-phenylcyclohexanecarboxylic acid is 1-amino-4-phenylcyclohexane-1-carboxylic acid.
The InChI of 1-Amino-4-phenylcyclohexanecarboxylic acid is InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16).
The InChIKey of 1-Amino-4-phenylcyclohexanecarboxylic acid is TWAYLYPZRSXEOS-UHFFFAOYSA-N.
The canonical SMILES of 1-Amino-4-phenylcyclohexanecarboxylic acid is C1CC(CCC1C2=CC=CC=C2)(C(=O)O)N.
The molecular weight of 1-Amino-4-phenylcyclohexanecarboxylic acid is 219.28 g/mol.
The XLogP3-AA value of 1-Amino-4-phenylcyclohexanecarboxylic acid is -0.6.
1-Amino-4-phenylcyclohexanecarboxylic acid has 2 hydrogen bond donor counts.
1-Amino-4-phenylcyclohexanecarboxylic acid has 3 hydrogen bond acceptor counts.