55912-03-3

Name 4-hydroxyderricin
CAS 55912-03-3
Molecular Formula C21H22O4
MDL Number MFCD11040950
Molecular Weight 338.4
MOL File 55912-03-3.mol
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Chemical Properties

Melting point  136.0-137.0 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point  542.0±50.0 °C(Predicted)
density  1.181±0.06 g/cm3(Predicted)
storage temp.  4°C, protect from light
form  Solid
pka 7.83±0.40(Predicted)
color  Light yellow to yellow
InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
InChIKey XDKYBPGIBVMHHB-KPKJPENVSA-N
SMILES C(C1=CC=C(OC)C(C/C=C(/C)\C)=C1O)(=O)/C=C/C1=CC=C(O)C=C1
LogP 5.840 (est)

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