dattelic acid

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IUPAC Name :(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
InChI :InChI=1/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
Std.InChI: InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
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InChIKey :QMPHZIPNNJOWQI-GDDAOPKQBI
Std.InChIKey: QMPHZIPNNJOWQI-GDDAOPKQSA-N
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SMILES :C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O
Molar Refractivity :80.17 ± 0.4 cm3 (est)
Parachor :652.3 ± 6.0 cm3 (est)
Index of Refraction :1.689 ± 0.03 (est)
Surface Tension :93.1 ± 5.0 dyne/cm (est)
Density :1.60 ± 0.1 g/cm3 (est)
Polarizability :31.78 ± 0.5 10-24cm3 (est)