1628639-06-4

Name WPDCFRNNHUYQGW-IUXPMGMMSA-N
CAS 1628639-06-4
Molecular Formula C21H23NO4
Molecular Weight 353.42
MOL File 1628639-06-4.mol
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Chemical Properties

Boiling point  559.1±50.0 °C(Predicted)
density  1.287±0.06 g/cm3(Predicted)
pka 3.44±0.11(Predicted)
InChI InChI=1S/C21H23NO4/c1-22(2)11-5-8-17-16-7-4-3-6-15(16)13-26-19-10-9-14(12-18(17)19)20(23)21(24)25/h3-4,6-10,12,20,23H,5,11,13H2,1-2H3,(H,24,25)/b17-8-
InChIKey WPDCFRNNHUYQGW-IUXPMGMMSA-N
SMILES C(=C1/C2=CC=CC=C2COC2=CC=C(C(O)C(=O)O)C=C/12)\CCN(C)C

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