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Formula C15H12N2O8
IUPAC Name 2-amino-5-(4-amino-5-carboxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-6-hydroxy-3-methoxy-benzoic acid
Molecular Mass 348.264 g·mol−1
Heat of Formation -1144.2 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 367.23 Å 3
Surface Area 325.42 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-5-(4-amino-5-carboxy-3,6-diketo-1-cyclohexa-1,4-dienyl)-6-hydroxy-3-methoxy-benzoic acid
  • 2-amino-5-(4-amino-5-carboxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-6-hydroxy-3-methoxy-benzoic acid
  • 2-amino-5-(4-amino-5-carboxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-6-hydroxy-3-methoxybenzoic acid
  • 2-amino-5-(4-amino-5-carboxy-3,6-dioxo-cyclohexa-1,4-dienyl)-6-hydroxy-3-methoxy-benzoic acid
  • 2-amino-5-(4-amino-5-carboxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-6-hydroxy-3-methoxybenzoic acid
  • benzoic acid, 2-amino-5-(4-amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)-6-hydroxy-3-methoxy-
InChIKey JPIGYSPCEWSTHY-UHFFFAOYSA-N
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