3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
3-butylidene-4,5-dihydro-2-benzofuran-1-one
Also Known As: Ligustilide|Z-ligustilide|cis-ligustilide|(Z)-Ligustilide|Ligustilide A|Spectrum_001702|98% +(Synthetic)|SpecPlus_000585|Spectrum4_001816|KBioGR_002456|KBioSS_002182|KBio2_002182|DivK1c_006681|KBio1_001625|KBio2_004750|KBio2_007318|KS-00001FIC|3-butylidene-4,5-dihydrophthalide|3-butylidene-4,5-dihydro-2-benzofuran-1-one|1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-|3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one|4CN-0424|3-[(Z)-Butylidene]-4,5-dihydrophthalide|(Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one|3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one|3-butylidene-4,5-dihydroisobenzofuran-1-one|3-butylidene-4,5-dihydro-2-benzofuran-1(3h)-one|1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-|1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-|3-butylidene-4,5-dihydro-1(3H)-isobenzofuranone; 3-butylidene-4,5-dihydrophthalide
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.09938 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.09938 |
| Monoisotopic Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 81944-08-3 |
|---|---|
| SMILES | CCCC=C1C2=C(C=CCC2)C(=O)O1 |
| InChIKey | IQVQXVFMNOFTMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one (CAS 81944-08-3), with molecular formula C12H14O2 and molecular weight 190.09938 g/mol. IUPAC: 3-butylidene-4,5-dihydro-2-benzofuran-1-one.
3-Butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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