染料木素 genistin
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iupac名称 IUPAC Name :5-羟基-3-（4-羟基苯基）-7-[（2s 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
INCHI InChI :INCHI InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
印地 Std.InChI: INCHI InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1
INCHI基 InChIKey :ZCOLJUOHXJRHDI-CMWLGVBABE
标准奇奇 Std.InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N
微笑 SMILES :C1= cc =CC(= cc =CC=C1C2=COC3= cc =CC(= cc =CC(=C3C2=O)O)O[c @ h C@H]4[C@@H]([c @ h C@H]([C@@H]([c @ h C@H](O4)CO)O)O)O)O
MDL : mfcd00016883 MFCD00016883
磨牙 Molar 折射率 Refractivity :103.67 ± 0.3 cm3 (估 est)
Parachor :813.8 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.717 ± 0.02
(估 est)
表面张力 Surface Tension :91.4 ± 3.0 dyne/cm (估 est)
密度 Density :1.642 ± 0.06 g/cm3 (估 est)
极化率 Polarizability :41.10 ± 0.5 10-24cm3 (估 est)