3-(6-Hydroxy-3,4-Dioxo-1,5-Cyclohexadien-1-Yl)-L-Alanine

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Properties Simple | Detailed

Formula C9H9NO5
IUPAC Name (2s)-2-amino-3-(6-hydroxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl)propanoic acid
Molecular Mass 211.171 g·mol−1
Heat of Formation -700.0 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 234.87 Å 3
Surface Area 216.32 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
  • (2s)-2-amino-3-(6-hydroxy-3,4-diketo-1-cyclohexa-1,5-dienyl)propionic acid
  • (2s)-2-amino-3-(6-hydroxy-3,4-dioxo-1-cyclohexa-1,5-dienyl)propanoic acid
  • (s)-alpha-amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid
  • 1,4-cyclohexadiene-1-propanoic acid, alpha-amino-4-hydroxy-3,6-dioxo-, (s)-
  • 6-hydroxyphenylalanine-3,4-dione
  • l-topaquinone
  • topa quinone
CAS Number(s)
  • 64192-68-3
InChIKey YWRFBISQAMHSIX-YFKPBYRVSA-N
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