549-23-5 Purity
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Specification
The molecular formula of Shikalkin is C16H16O5.
The molecular weight of Shikalkin is 288.29 g/mol.
The IUPAC name of Shikalkin is 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione.
The InChI of Shikalkin is InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3.
The InChIKey of Shikalkin is NEZONWMXZKDMKF-UHFFFAOYSA-N.
The canonical SMILES of Shikalkin is CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C.
The CAS number of Shikalkin is 54952-43-1.
The ChEMBL ID of Shikalkin is CHEMBL29285.
The XLogP3-AA value of Shikalkin is 3.
The topological polar surface area of Shikalkin is 94.8 ?2.