81486-22-8 Purity
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Specification
The molecular formula of z-Ligustilide is C12H14O2.
The molecular weight of z-Ligustilide is 190.24 g/mol.
The IUPAC name of z-Ligustilide is (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one.
The InChIKey of z-Ligustilide is IQVQXVFMNOFTMU-FLIBITNWSA-N.
The Canonical SMILES of z-Ligustilide is CCCC=C1C2=C(C=CCC2)C(=O)O1.
The CAS number of z-Ligustilide is 4431-01-0.
The XLogP3-AA value of z-Ligustilide is 2.7.
z-Ligustilide has 2 hydrogen bond acceptors.
The topological polar surface area of z-Ligustilide is 26.3 Å^2.
z-Ligustilide contains 14 heavy atoms.