2-Methoxy-5-(2,3,4-Trimethoxyphenyl)-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C17H18O5
IUPAC Name 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
Molecular Mass 302.322 g·mol−1
Heat of Formation -486.1 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 358.85 Å 3
Surface Area 317.4 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2-methoxy-5-(2,3,4-trimethoxyphenyl)-
  • 2-methoxy-5-(2',3',4'-trimethoxyphenyl)tropone
  • 2-methoxy-5-(2,3,4-trimethoxyphenyl)-1-cyclohepta-2,4,6-trienone
CAS Number(s)
  • 60423-21-4
InChIKey QIMGSZURBOTPMW-UHFFFAOYSA-N
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