3-[(Z)-(5-Methoxy-3-Oxo-1-Benzofuran-2(3H)-Ylidene)Methyl]Benzoic Acid

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Properties Simple | Detailed

Formula C17H12O5
IUPAC Name 3-[(z)-(5-methoxy-3-oxo-benzofuran-2-ylidene)methyl]benzoic acid
Molecular Mass 296.274 g·mol−1
Heat of Formation -512.4 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 330.48 Å 3
Surface Area 310.37 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((5-methoxy-3-oxo-2(3h)benzofuranylidene)methyl)benzoic acid
  • 3-[(z)-(3-keto-5-methoxy-benzofuran-2-ylidene)methyl]benzoic acid
  • 3-[(z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
  • 3-[(z)-(5-methoxy-3-oxo-2-benzofuranylidene)methyl]benzoic acid
  • 3-[(z)-(5-methoxy-3-oxo-benzofuran-2-ylidene)methyl]benzoic acid
  • benzoic acid, 3-((5-methoxy-3-oxo-2(3h)-benzofuranylidene)methyl)-, (z)-
  • ly 140091
  • ly-140091
CAS Number(s)
  • 74814-56-5
InChIKey RYTIXFBKSOQPPT-NVNXTCNLSA-N
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