35804-66-1

Name 3-Indoxyl-beta-D-glucuronic acid cyclohexylammonium salt
CAS 35804-66-1
EINECS(EC#) 999-999-2
Molecular Formula C20H28N2O7
MDL Number MFCD00083390
Molecular Weight 408.45
MOL File 35804-66-1.mol
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Chemical Properties

Boiling point  669.0±55.0 °C(Predicted)
density  1.693±0.06 g/cm3(Predicted)
storage temp.  −20°C
form  powder
pka 2.82±0.70(Predicted)
Optical Rotation [α]20/D -80.0±5.0
InChI 1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)
InChIKey KUYNOZVWCFXSNE-UHFFFAOYSA-N
SMILES OC1C(OC(C(O)C1O)C(O)=O)Oc2c[nH]c3ccccc23

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HS Code  29349990
Storage Class 11 - Combustible Solids

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