Jacaranone

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name methyl 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetate
Molecular Mass 182.173 g·mol−1
Heat of Formation -579.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 210.45 Å 3
Surface Area 203.95 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid methyl ester
  • 2,5-cyclohexadiene-1-acetic acid, 1-hydroxy-4-oxo-, methyl ester
  • 2-(1-hydroxy-4-keto-1-cyclohexa-2,5-dienyl)acetic acid methyl ester
  • 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)acetic acid methyl ester
  • jacaramome
  • methyl 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)acetate
  • methyl 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)ethanoate
CAS Number(s)
  • 60263-07-2
InChIKey WJZSKNRPRWCLLK-UHFFFAOYSA-N
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