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The molecular formula is C11H15NO2.
The molecular weight is 193.24 g/mol.
The CAS number is 96084-40-1.
The IUPAC name is 4-[(propan-2-ylamino)methyl]benzoic acid.
The InChI is InChI=1S/C11H15NO2/c1-8(2)12-7-9-3-5-10(6-4-9)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).
The InChIKey is VTPDRIAWGUXLMR-UHFFFAOYSA-N.
The canonical SMILES is CC(C)NCC1=CC=C(C=C1)C(=O)O.
The compound has 2 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
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