3-Benzylidenphthalide

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Properties Simple | Detailed

Formula C15H10O2
IUPAC Name (3e)-3-benzylideneisobenzofuran-1-one
Molecular Mass 222.239 g·mol−1
Heat of Formation -20.4 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 260.71 Å 3
Surface Area 242.34 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
Synonyms
  • (3e)-3-(benzylidene)isobenzofuran-1-one
  • (3e)-3-(phenylmethylene)-1-isobenzofuranone
  • (3e)-3-(phenylmethylene)isobenzofuran-1-one
  • (3e)-3-(phenylmethylidene)-2-benzofuran-1-one
  • 1(3h)-isobenzofuranane, 3-(phenylmethylene)-
  • 1(3h)-isobenzofuranone, 3-(phenylmethylene)- (9ci)
  • 3-(phenylmethylene)-1(3h)-isobenzofuranone
  • 3-[1-phenyl-meth-(e)-ylidene]-3h-isobenzofuran-1-one
  • bb_sc-2745
  • benzylidenephthalide
  • escalol 547
InChIKey YRTPZXMEBGTPLM-GXDHUFHOSA-N
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