CAS
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Specification
The molecular formula is C13H13NO2.
The molecular weight is 215.25 g/mol.
The IUPAC name is 1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid.
The InChI is InChI=1S/C13H13NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-8H,9,14H2,(H,15,16).
The InChIKey is XZSIDDSJWUQAOH-UHFFFAOYSA-N.
The canonical SMILES is C1C=C(C=CC1(C(=O)O)N)C2=CC=CC=C2.
The XLogP3-AA value is -0.7.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.