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3326-31-6

Name 3',6'-Dihydroxy-6-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
CAS 3326-31-6
Molecular Formula C21H11NO5S
MDL Number MFCD23105669
Molecular Weight 389.38
MOL File 3326-31-6.mol
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Chemical Properties

Boiling point  722.7±60.0 °C(Predicted)
density  1.54±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  Solid
pka 9.31±0.20(Predicted)
color  Light brown to brown
InChI InChI=1S/C21H11NO5S/c23-11-4-6-13-17(8-11)26-18-9-12(24)5-7-14(18)21(13)15-2-1-3-16(22-10-28)19(15)20(25)27-21/h1-9,23-24H
InChIKey NUKUMXUIWPGENW-UHFFFAOYSA-N
SMILES C12(C3=C(C=C(O)C=C3)OC3=C1C=CC(O)=C3)C1=C(C(N=C=S)=CC=C1)C(=O)O2

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Hazard Codes  Xn
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