IUPAC Name :(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
InChI :InChI=1/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1
Std.InChI: InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey :CBGDIJWINPWWJW-IYSWYEEDBN
Std.InChIKey: CBGDIJWINPWWJW-IYSWYEEDSA-N
SMILES :C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
MDL: MFCD00006912
Molar Refractivity :61.73 ± 0.4 cm3 (est)
Parachor :496.4 ± 6.0 cm3 (est)
Index of Refraction :1.595 ± 0.03
(est)
Surface Tension :55.9 ± 5.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :24.47 ± 0.5 10-24cm3 (est)