274913-71-2

Name Rubiginone D2
CAS 274913-71-2
Molecular Formula C20H16O6
MDL Number MFCD28898427
Molecular Weight 352.34
MOL File 274913-71-2.mol
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Chemical Properties

Boiling point  639.5±55.0 °C(Predicted)
density  1.465±0.06 g/cm3(Predicted)
storage temp.  -20°C
form  A solid
pka 12.58±0.60(Predicted)
color  Yellow solid with a green cast
InChI InChI=1S/C20H16O6/c1-8-16(21)10-6-7-11-14(15(10)20(25)17(8)22)19(24)9-4-3-5-12(26-2)13(9)18(11)23/h3-8,16-17,21-22H,1-2H3/t8-,16+,17-/m0/s1
InChIKey DWIWLEGGRHIXAH-KDLNQGCSSA-N
SMILES C12C(=O)[C@@H](O)[C@@H](C)[C@@H](O)C1=CC=C1C=2C(=O)C2=C(C(OC)=CC=C2)C1=O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning

Hazard Information

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