139-76-4

MDL Number MFCD00010597
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Chemical Properties

Melting point  124 °C
Boiling point  559.3±50.0 °C(Predicted)
density  1.130±0.06 g/cm3(Predicted)
pka 15.36±0.46(Predicted)
InChI InChI=1S/C20H25NO5/c1-23-16-7-5-14(11-18(16)25-3)9-10-21-20(22)13-15-6-8-17(24-2)19(12-15)26-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)
InChIKey KDIKNBJFJOYFNY-UHFFFAOYSA-N
SMILES C1(CC(NCCC2=CC=C(OC)C(OC)=C2)=O)=CC=C(OC)C(OC)=C1

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