ascochitine

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IUPAC Name :3-[(2S)-butan-2-yl]-8-hydroxy-4-methyl-6-oxoisochromene-7-carboxylic acid
InChI :InChI=1/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,18-19H,4H2,1-3H3/t7-/m0/s1
Std.InChI: InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,18-19H,4H2,1-3H3/t7-/m0/s1
InChIKey :BRZRLRLNWSLJEB-ZETCQYMHBO
Std.InChIKey: BRZRLRLNWSLJEB-ZETCQYMHSA-N
SMILES :O=C\2\C=C/1\C(=C(/O\C=C\1C(=O)C/2=C(/O)O)[C@@H](C)CC)C
Molar Refractivity :70.70 ± 0.4 cm3 (est)
Parachor :562.5 ± 6.0 cm3 (est)
Index of Refraction :1.600 ± 0.03 (est)
Surface Tension :54.9 ± 5.0 dyne/cm (est)
Density :1.33 ± 0.1 g/cm3 (est)
Polarizability :28.02 ± 0.5 10-24cm3 (est)