42086-68-0

Name Benzonitrile, 3-[(3-oxo-1(3H)-isobenzofuranylidene)methyl]-, (E)- (9CI)
CAS 42086-68-0
Molecular Formula C16H9NO2
Molecular Weight 247.25
MOL File 42086-68-0.mol
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Chemical Properties

Boiling point  435.8±45.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
InChI InChI=1S/C16H9NO2/c17-10-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14(13)16(18)19-15/h1-9H/b15-9+
InChIKey FCXMKELNVVARNC-OQLLNIDSSA-N
SMILES C(#N)C1=CC=CC(/C=C2\C3=C(C=CC=C3)C(=O)O\2)=C1

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