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70561-31-8

Name Sativanone
CAS 70561-31-8
Molecular Formula C17H16O5
Molecular Weight 300.31
MOL File 70561-31-8.mol
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Chemical Properties

Boiling point  520.6±50.0 °C(Predicted)
density  1.281±0.06 g/cm3(Predicted)
pka 7.68±0.40(Predicted)
InChI InChI=1S/C17H16O5/c1-20-11-4-6-12(15(8-11)21-2)14-9-22-16-7-10(18)3-5-13(16)17(14)19/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
InChIKey JOVYBWHPTQRVNZ-AWEZNQCLSA-N
SMILES C1OC2=CC(O)=CC=C2C(=O)[C@@H]1C1=CC=C(OC)C=C1OC

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