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19879-32-4

Name BAVACHIN
CAS 19879-32-4
Molecular Formula C20H20O4
MDL Number MFCD11617359
Molecular Weight 324.37
MOL File 19879-32-4.mol

Chemical Properties

Boiling point  558.3±50.0 °C(Predicted)
density  1.244
storage temp.  Inert atmosphere,Store in freezer, under -20°C
solubility  ≤20mg/ml in ethanol;30mg/ml in DMSO;50mg/ml in dimethyl formamide
form  crystalline solid
pka 8.27±0.40(Predicted)
color  White
InChI InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
InChIKey OAUREGNZECGNQS-IBGZPJMESA-N
SMILES [C@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=C(C/C=C(/C)\C)C=C2C(=O)C1
CAS DataBase Reference 19879-32-4

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