Identification Chemical Properties Hazard Information Spectrum Detail Supplier Related Products

5041-81-6

Name ISOLIQUIRITIN
CAS 5041-81-6
EINECS(EC#) 1308068-626-2
Molecular Formula C21H22O9
MDL Number MFCD00272145
Molecular Weight 418.39
MOL File 5041-81-6.mol

Chemical Properties

Melting point  185-186℃
Boiling point  743.5±60.0 °C(Predicted)
density  1.528
storage temp.  4°C, protect from light
solubility  Soluble in methan
form  powder
pka 7.46±0.35(Predicted)
color  Ochre
biological source plant
InChI InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/s3
InChIKey YNWXJFQOCHMPCK-RQOZFYCLNA-N
SMILES [C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC1=CC=C(/C=C/C(=O)C2C=CC(O)=CC=2O)C=C1 |&1:0,1,3,4,6,r|

Hazard Information

Supplier