macelignan

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IUPAC Name :4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
InChI :InChI=1/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
Std.InChI: InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
InChIKey :QDDILOVMGWUNGD-UONOGXRCBH
Std.InChIKey: QDDILOVMGWUNGD-UONOGXRCSA-N
SMILES :C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC
MDL: MFCD09953803
Molar Refractivity :93.45 ± 0.3 cm3 (est)
Parachor :736.9 ± 4.0 cm3 (est)
Index of Refraction :1.573 ± 0.02 (est)
Surface Tension :45.7 ± 3.0 dyne/cm (est)
Density :1.159 ± 0.06 g/cm3 (est)
Polarizability :37.05 ± 0.5 10-24cm3 (est)