Ligustilide

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Catalog Number
ACM4431010
Product Name
Ligustilide
Structure
Structure
CAS
4431-01-0
Category
Main Products
Synonyms
3-[(Z)-Butylidene]-4,5-dihydrophthalide
IUPAC Name
(3Z)-3-Butylidene-4,5-dihydro-2-benzofuran-1-one
Molecular Weight
190.24
Molecular Formula
C12H14O2
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
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