behenyl PCA

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IUPAC Name :docosyl (2S)-5-oxopyrrolidine-2-carboxylate
InChI :InChI=1/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(30)25-22-23-26(29)28-25/h25H,2-24H2,1H3,(H,28,29)/t25-/m0/s1
Std.InChI: InChI=1S/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(30)25-22-23-26(29)28-25/h25H,2-24H2,1H3,(H,28,29)/t25-/m0/s1
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InChIKey :GKCVFDIGISJVBA-VWLOTQADBM
Std.InChIKey: GKCVFDIGISJVBA-VWLOTQADSA-N
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SMILES :O=C(OCCCCCCCCCCCCCCCCCCCCCC)[C@@H]1CCC(=O)N1
Molar Refractivity :130.39 ± 0.5 cm3 (est)
Parachor :1084.7 ± 8.0 cm3 (est)
Index of Refraction :1.500 ± 0.05 (est)
Surface Tension :35.8 ± 7.0 dyne/cm (est)
Density :0.98 ± 0.1 g/cm3 (est)
Polarizability :51.69 ± 0.5 10-24cm3 (est)