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521-48-2

Name ISOXANTHOHUMOL
CAS 521-48-2
Molecular Formula C21H22O5
MDL Number MFCD00238718
Molecular Weight 354.4
MOL File 521-48-2.mol

Chemical Properties

Melting point  183 - 187°
Boiling point  585.8±50.0 °C(Predicted)
density  1.245±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  powder
pka 7.90±0.40(Predicted)
color  Pale Yellow
BRN  10199264
InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
InChIKey YKGCBLWILMDSAV-UHFFFAOYSA-N
SMILES C1(C2=CC=C(O)C=C2)OC2=C(C/C=C(/C)\C)C(O)=CC(OC)=C2C(=O)C1

Safety Data

WGK Germany  3

Hazard Information

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