41365-32-6

Name cirsilineol
CAS 41365-32-6
Molecular Formula C18H16O7
MDL Number MFCD01083015
Molecular Weight 344.32
MOL File 41365-32-6.mol
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Chemical Properties

Melting point  147 °C(Solv: benzene (71-43-2))
Boiling point  585.0±50.0 °C(Predicted)
density  1.387
storage temp.  -20°C
solubility  Soluble in DMSO, ethanol and water;
form  neat
pka 6.31±0.40(Predicted)
color  Yellow
Water Solubility  insoluble in water
BRN  1355108
InChI InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
InChIKey VKOSQMWSWLZQPA-UHFFFAOYSA-N
SMILES C1(C2=CC=C(O)C(OC)=C2)OC2=CC(OC)=C(OC)C(O)=C2C(=O)C=1
LogP 1.670 (est)

Safety Data

WGK Germany  3
Storage Class 13 - Non Combustible Solids

Hazard Information

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