Ligustilide

• CAS: 4431-01-0
• Catalog Number: ACM4431010
• Category: Main Products
• Molecular Weight: 190.24
• Molecular Formula: C12H14O2
• Synonyms: 3-[(Z)-Butylidene]-4,5-dihydrophthalide
• IUPAC Name: (3Z)-3-Butylidene-4,5-dihydro-2-benzofuran-1-one
• Canonical SMILES: CCCC=C1C2=C(C=CCC2)C(=O)O1
• InChI: InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-
• InChI Key: IQVQXVFMNOFTMU-FLIBITNWSA-N
• Boiling Point: 377.9±11.0 °C
• Melting Point: 297-298ºC
• Flash Point: 158.6ºC
• Density: 1.10±0.1 g/cm³
• Appearance: Oil
• Exact Mass: 190.099379685
• Isomeric SMILES: CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
• Monoisotopic Mass: 190.099379685
• Physical State: Liquid
• Topological Polar Surface Area: 26.3 Ų