malbranicin

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IUPAC Name :2-methoxy-6-[(2R)-3-oxobutan-2-yl]cyclohexa-2,5-diene-1,4-dione
InChI :InChI=1/C11H12O4/c1-6(7(2)12)9-4-8(13)5-10(15-3)11(9)14/h4-6H,1-3H3
Std.InChI: InChI=1S/C11H12O4/c1-6(7(2)12)9-4-8(13)5-10(15-3)11(9)14/h4-6H,1-3H3
InChIKey :RYIGSNBSBGKNIH-UHFFFAOYAH
Std.InChIKey: RYIGSNBSBGKNIH-UHFFFAOYSA-N
SMILES :CC(C1=CC(=O)C=C(C1=O)OC)C(=O)C
Molar Refractivity :52.36 ± 0.4 cm3 (est)
Parachor :442.5 ± 6.0 cm3 (est)
Index of Refraction :1.506 ± 0.03 (est)
Surface Tension :39.7 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :20.75 ± 0.5 10-24cm3 (est)