3,4-Dihydroxy-5-[(2E)-3-Methyl-4-Oxo-2-Buten-1-Yl]Benzaldehyde

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Properties Simple | Detailed

Formula C12H12O4
IUPAC Name 3,4-dihydroxy-5-[(e)-3-methyl-4-oxo-but-2-enyl]benzaldehyde
Molecular Mass 220.221 g·mol−1
Heat of Formation -515.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 260.75 Å 3
Surface Area 246.41 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4-dihydroxy-5-[(e)-3-methyl-4-oxo-but-2-enyl]benzaldehyde
  • 3,4-dihydroxy-5-[(e)-3-methyl-4-oxobut-2-enyl]benzaldehyde
  • 3,4-dihydroxy-5-[(e)-4-keto-3-methyl-but-2-enyl]benzaldehyde
  • montadial
CAS Number(s)
  • 247132-16-7
InChIKey GYXDZVGSSXSODD-KRXBUXKQSA-N
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