2-(4-Hydroxy-3-Methoxybenzylidene)-4-Cyclopentene-1,3-Dione

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Properties Simple | Detailed

Formula C13H10O4
IUPAC Name 2-[(4-hydroxy-3-methoxy-phenyl)methylene]cyclopent-4-ene-1,3-dione
Molecular Mass 230.216 g·mol−1
Heat of Formation -338.4 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 263.9 Å 3
Surface Area 246.61 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3'-methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
  • 2-(4-hydroxy-3-methoxy-benzylidene)cyclopent-4-ene-1,3-quinone
  • 2-[(4-hydroxy-3-methoxy-phenyl)methylidene]cyclopent-4-ene-1,3-dione
  • 2-[(4-hydroxy-3-methoxyphenyl)methylene]cyclopent-4-ene-1,3-dione
  • 2-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
  • 4-cyclopentene-1,3-dione, 2-((4-hydroxy-3-methoxyphenyl)methylene)-
  • khi 201
  • khi-201
CAS Number(s)
  • 55776-43-7
InChIKey ANRJXDLUSYOZDU-UHFFFAOYSA-N
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