IUPAC Name :2,2-dimethyl-6-oxoheptanoic acid
InChI :InChI=1/C9H16O3/c1-7(10)5-4-6-9(2,3)8(11)12/h4-6H2,1-3H3,(H,11,12)
Std.InChI: InChI=1S/C9H16O3/c1-7(10)5-4-6-9(2,3)8(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey :KDCDRDLFMIISIA-UHFFFAOYAF
Std.InChIKey: KDCDRDLFMIISIA-UHFFFAOYSA-N
SMILES :O=C(CCCC(C(=O)O)(C)C)C
Molar Refractivity :45.30 ± 0.3 cm3 (est)
Parachor :412.1 ± 4.0 cm3 (est)
Index of Refraction :1.449 ± 0.02
(est)
Surface Tension :35.4 ± 3.0 dyne/cm (est)
Density :1.019 ± 0.06 g/cm3 (est)
Polarizability :17.96 ± 0.5 10-24cm3 (est)