Cas no 81944-08-3 ((E)-Ligustilide)

(E)-Ligustilide structure
(E)-Ligustilide structure
Product Name:(E)-Ligustilide
CAS No:81944-08-3
MF:C12H14O2
MW:190.23836
CID:702505
PubChem ID:5877292
Update Time:2024-10-27

(E)-Ligustilide Chemical and Physical Properties

Names and Identifiers

    • 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (E)-
    • trans-ligustilide
    • (3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one
    • (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
    • 81944-08-3
    • (3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
    • AKOS032948223
    • IQVQXVFMNOFTMU-DHZHZOJOSA-N
    • 3-Butylidene-4,5-dihydrophthalide, 8CI
    • DA-69165
    • (E)-Ligustilide
    • 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3E)-
    • (e)-3-butylidene-4,5-dihydrophthalide
    • trans-3-Butylidene-4,5-dihydrophthalide
    • SCHEMBL4087024
    • 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone, 9CI
    • 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-DHZHZOJOSA-N
    • SMILES: C(=C1/OC(=O)C2C=CCCC/1=2)\CCC

Computed Properties

  • Exact Mass: 190.099379685g/mol
  • Monoisotopic Mass: 190.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 345
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 26.3?2

(E)-Ligustilide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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