coumestrin

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IUPAC Name :9-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-[1]benzofuro[3,2-c]chromen-6-one
InChI :InChI=1/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2/t14-,16-,17+,18-,21-/m1/s1
Std.InChI: InChI=1S/C21H18O10/c22-7-14-16(24)17(25)18(26)21(31-14)28-9-2-4-11-13(6-9)30-20(27)15-10-3-1-8(23)5-12(10)29-19(11)15/h1-6,14,16-18,21-26H,7H2/t14-,16-,17+,18-,21-/m1/s1
InChIKey :JSKGNHCHUPJTOQ-YUZRNDJPBX
Std.InChIKey: JSKGNHCHUPJTOQ-YUZRNDJPSA-N
SMILES :C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Molar Refractivity :103.26 ± 0.3 cm3 (est)
Parachor :792.9 ± 6.0 cm3 (est)
Index of Refraction :1.740 ± 0.02 (est)
Surface Tension :92.0 ± 3.0 dyne/cm (est)
Density :1.680 ± 0.06 g/cm3 (est)
Polarizability :40.93 ± 0.5 10-24cm3 (est)