genipin

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IUPAC Name :methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
InChI :InChI=1/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
Std.InChI: InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1
InChIKey :AZKVWQKMDGGDSV-BCMRRPTOBC
Std.InChIKey: AZKVWQKMDGGDSV-BCMRRPTOSA-N
SMILES :COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
MDL: MFCD00888600
Molar Refractivity :54.52 ± 0.3 cm3 (est)
Parachor :453.0 ± 6.0 cm3 (est)
Index of Refraction :1.564 ± 0.02 (est)
Surface Tension :53.5 ± 3.0 dyne/cm (est)
Density :1.350 ± 0.06 g/cm3 (est)
Polarizability :21.61 ± 0.5 10-24cm3 (est)