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28448-85-3

Name Bavachalcone
CAS 28448-85-3
Molecular Formula C21H22O4
MDL Number MFCD18427734
Molecular Weight 324.37
MOL File 28448-85-3.mol
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Chemical Properties

Melting point  168-169℃
Boiling point  549.6±50.0 °C(Predicted)
density  1.243
storage temp.  Store at -20°C
solubility  DMSO: soluble
form  powder
pka 7.58±0.50(Predicted)
color  Yellow-orange
InChI InChI=1S/C20H20O4/c1-13(2)3-7-15-11-17(20(24)12-19(15)23)18(22)10-6-14-4-8-16(21)9-5-14/h3-6,8-12,21,23-24H,7H2,1-2H3/b10-6+
InChIKey BLZGPHNVMRXDCB-UXBLZVDNSA-N
SMILES C(C1=CC(C/C=C(/C)\C)=C(O)C=C1O)(=O)/C=C/C1=CC=C(O)C=C1
CAS DataBase Reference 28448-85-3

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