603-56-5

Name chrysosplenetin B
CAS 603-56-5
Molecular Formula C19H18O8
Molecular Weight 374.341
MOL File 603-56-5.mol
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Chemical Properties

Melting point  203-205 °C
Boiling point  615.8±55.0 °C(Predicted)
density  1.44±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble; Methanol: soluble
form  A crystalline solid
pka 6.13±0.40(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey NBVTYGIYKCPHQN-UHFFFAOYSA-N
SMILES O=C1C(=C(C2C=CC(=C(C=2)OC)O)OC2=CC(=C(C(=C21)O)OC)OC)OC
LogP 3.037 (est)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

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