1-Carboxy-2-Amino-9-Hydroxymethylphenoxazin-3-One

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Properties Simple | Detailed

Formula C14H10N2O5
IUPAC Name 2-amino-9-(hydroxymethyl)-3-oxo-phenoxazine-1-carboxylic acid
Molecular Mass 286.240 g·mol−1
Heat of Formation -555.6 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 296.08 Å 3
Surface Area 269.05 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-3-keto-9-methylol-phenoxazine-1-carboxylic acid
  • 2-amino-9-(hydroxymethyl)-3-oxo-1-phenoxazinecarboxylic acid
  • 2-amino-9-(hydroxymethyl)-3-oxo-3h-phenoxazine-1-carboxylic acid
  • 2-amino-9-(hydroxymethyl)-3-oxo-phenoxazine-1-carboxylic acid
  • 3h-phenoxazine-1-carboxylic acid, 2-amino-9-(hydroxymethyl)-3-oxo-
  • cinnabarin
  • cinnabarine
  • polystictin
  • polystictine
CAS Number(s)
  • 146-90-7
InChIKey BHUPIKYIGMWGAD-UHFFFAOYSA-N
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