517-66-8

Name Dicentrin
CAS 517-66-8
Molecular Formula C20H21NO4
MDL Number MFCD00210492
Molecular Weight 339.39
MOL File 517-66-8.mol
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Chemical Properties

Melting point  177-178℃
Boiling point  481℃
density  1.266
refractive index  1.6250 (estimate)
Fp  143℃
storage temp.  4°C, protect from light
solubility  Soluble in DMSO
form  Solid
pka 6.65±0.20(Predicted)
color  Off-white to light brown
InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
InChIKey YJWBWQWUHVXPNC-AWEZNQCLSA-N
SMILES N1(C)[C@]2([H])C3=C(C4=C(C=C3CC1)OCO4)C1=CC(OC)=C(OC)C=C1C2

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