3,5-Dihydroxy-4-[(1E)-5-Methoxy-5-Oxo-1-Penten-1-Yl]Benzoic Acid

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Properties Simple | Detailed

Formula C13H14O6
IUPAC Name 3,5-dihydroxy-4-[(e)-5-methoxy-5-oxo-pent-1-enyl]benzoic acid
Molecular Mass 266.247 g·mol−1
Heat of Formation -994.0 ± 16.7 kJ·mol−1
Dipole Moment 1.17 ± 1.08 D
Volume 309.6 Å 3
Surface Area 279.79 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-dihydroxy-4-[(e)-5-keto-5-methoxy-pent-1-enyl]benzoic acid
  • 3,5-dihydroxy-4-[(e)-5-methoxy-5-oxo-pent-1-enyl]benzoic acid
  • 3,5-dihydroxy-4-[(e)-5-methoxy-5-oxopent-1-enyl]benzoic acid
InChIKey HFXCUKYRDKFGCX-DUXPYHPUSA-N
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