52117-69-8

Name (2R-trans)-3-(Acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzo pyran-4-one
CAS 52117-69-8
Molecular Formula C17H14O6
MDL Number MFCD20260453
Molecular Weight 314.29
MOL File 52117-69-8.mol
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Chemical Properties

Melting point  173-175 °C
Boiling point  547.6±50.0 °C(Predicted)
density  1.46±0.1 g/cm3(Predicted)
solubility  Acetonitrile: Slightly Soluble: 0.1-1mg/mL
form  Solid
pka 7.32±0.60(Predicted)
color  White to off-white
InChI InChI=1S/C17H14O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,16-17,19-20H,1H3/t16-,17+/m1/s1
InChIKey BJYHZSNSMVEQEH-SJORKVTESA-N
SMILES [C@H]1(C2=CC=CC=C2)OC2=CC(O)=CC(O)=C2C(=O)[C@@H]1OC(C)=O
LogP 3.850 (est)

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