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ABT-494 intermediate Structure

ABT-494 intermediate

Chemical Properties

Boiling point 443.9±45.0 °C(Predicted)
Density  1.216±0.06 g/cm3(Predicted)
pka 4.48±0.40(Predicted)
InChI InChI=1S/C15H19NO4/c1-2-12-8-16(9-13(12)14(17)18)15(19)20-10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H,17,18)/t12-,13+/m1/s1
InChIKey LKPALAXKZXXURJ-OLZOCXBDSA-N
SMILES N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@@H](C(O)=O)C1

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