1-(3,4-Dioxo-1,5-Cyclohexadien-1-Yl)-L-Proline

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Properties Simple | Detailed

Formula C11H11NO4
IUPAC Name (2s)-1-(3,4-dioxocyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboxylic acid
Molecular Mass 221.209 g·mol−1
Heat of Formation -485.9 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 251.41 Å 3
Surface Area 232.55 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(3,4-diketo-1-cyclohexa-1,5-dienyl)proline
  • (2s)-1-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-2-pyrrolidinecarboxylic acid
  • (2s)-1-(3,4-dioxo-1-cyclohexa-1,5-dienyl)pyrrolidine-2-carboxylic acid
  • 4-n-prolyl-2-benzoquinone
CAS Number(s)
  • 122268-35-3
InChIKey BGOKIEHCWSCUBQ-QMMMGPOBSA-N
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