dumetorine

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IUPAC Name :(2R)-4-methyl-2-[[(2S)-1-methylpiperidin-2-yl]methyl]-2,3-dihydropyran-6-one
InChI :InChI=1/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3/t11-,12+/m0/s1
Std.InChI: InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3/t11-,12+/m0/s1
InChIKey :JFFVCKNYHMIHTF-NWDGAFQWBS
Std.InChIKey: JFFVCKNYHMIHTF-NWDGAFQWSA-N
SMILES :CC1=CC(=O)O[C@H](C1)C[C@@H]2CCCCN2C
Molar Refractivity :63.12 ± 0.3 cm3 (est)
Parachor :523.3 ± 6.0 cm3 (est)
Index of Refraction :1.495 ± 0.02 (est)
Surface Tension :34.2 ± 3.0 dyne/cm (est)
Density :1.031 ± 0.06 g/cm3 (est)
Polarizability :25.02 ± 0.5 10-24cm3 (est)