monocrotaline

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InChI :InChI=1/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
Std.InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
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InChIKey :QVCMHGGNRFRMAD-XFGHUUIABQ
Std.InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N
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SMILES :C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O
MDL: MFCD00084656
Molar Refractivity :80.30 ± 0.4 cm3 (est)
Parachor :664.1 ± 6.0 cm3 (est)
Index of Refraction :1.585 ± 0.03 (est)
Surface Tension :59.2 ± 5.0 dyne/cm (est)
Density :1.35 ± 0.1 g/cm3 (est)
Polarizability :31.83 ± 0.5 10-24cm3 (est)