azurone
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IUPAC Name :7-(3-methylbutyl)-1,5-benzodioxepin-3-one
InChI :InChI=1/C14H18O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h5-7,10H,3-4,8-9H2,1-2H3
Std.InChI: InChI=1S/C14H18O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h5-7,10H,3-4,8-9H2,1-2H3
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InChIKey :AWAHFLZWCBUHMX-UHFFFAOYAA
Std.InChIKey: AWAHFLZWCBUHMX-UHFFFAOYSA-N
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SMILES :CC(C)CCc1cc2OCC(=O)COc2cc1
Molar Refractivity :65.17 ± 0.3 cm3 (est)
Parachor :534.8 ± 6.0 cm3 (est)
Index of Refraction :1.517 ± 0.02 (est)
Surface Tension :38.0 ± 3.0 dyne/cm (est)
Density :1.088 ± 0.06 g/cm3 (est)
Polarizability :25.83 ± 0.5 10-24cm3 (est)