Butylidenephthalide

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Properties Simple | Detailed

Formula C12H12O2
IUPAC Name (3e)-3-butylideneisobenzofuran-1-one
Molecular Mass 188.222 g·mol−1
Heat of Formation -191.7 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 232.48 Å 3
Surface Area 226.98 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry Cs
Synonyms
  • (3e)-3-butylidene-1-isobenzofuranone
  • (3e)-3-butylideneisobenzofuran-1-one
  • 1(3h)-isobenzofuranone, 3-butylidene-
  • 1(3h)-isobenzofuranone, 3-butylidene-, (3e)-
  • 3-butylidene phthalide
  • 3-butylidene-1(3h)-isobenzofuranone
  • 3-butylidenephthalide
  • 3-butylidenephthalide, (z)-
  • bdph
  • butylidene phthalide
  • ligusticum lactone
  • n-butylidene phthalide
  • phthalide, 3-butylidene-
CAS Number(s)
  • 551-08-6
  • 76681-73-7
InChIKey WMBOCUXXNSOQHM-DHZHZOJOSA-N
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