55084-08-7

Name NEOBAICALEIN
CAS 55084-08-7
Molecular Formula C19H18O8
MDL Number MFCD02258879
Molecular Weight 374.34
MOL File 55084-08-7.mol
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Chemical Properties

Boiling point  636.9±55.0 °C(Predicted)
density  1.375±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder
pka 6.81±0.40(Predicted)
color  Yellow
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
InChIKey GMQFOKBGMKVUQZ-UHFFFAOYSA-N
SMILES C1(C2=C(OC)C=CC=C2O)OC2=C(OC)C(OC)=C(OC)C(O)=C2C(=O)C=1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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