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The molecular formula is C12H12ClNO3.
The molecular weight is 253.68 g/mol.
The IUPAC name is (E)-4-[2-chloro-4-(dimethylamino)phenyl]-2-oxobut-3-enoic acid.
The InChI code is InChI=1S/C12H12ClNO3/c1-14(2)9-5-3-8(10(13)7-9)4-6-11(15)12(16)17/h3-7H,1-2H3,(H,16,17)/b6-4+.
The InChIKey is NRYWHEVMJPEZOH-GQCTYLIASA-N.
The canonical SMILES is CN(C)C1=CC(=C(C=C1)C=CC(=O)C(=O)O)Cl.
The isomeric SMILES is CN(C)C1=CC(=C(C=C1)/C=C/C(=O)C(=O)O)Cl.
The XLogP3-AA value is 2.5.
The compound has 1 hydrogen bond donor count.
The compound has 4 hydrogen bond acceptor counts.
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