6-Butyl-4,10-Dihydroxy-1,7-Phenanthroline-2,8-Dicarboxylic Acid

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Properties Simple | Detailed

Formula C18H16N2O6
IUPAC Name 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
Molecular Mass 356.329 g·mol−1
Heat of Formation -917.0 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 391.09 Å 3
Surface Area 347.4 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarbonsaeure
  • 6-butyl-1,4,7,10-tetrahydro-4,10-dioxo-1,7-phenanthroline-2,8-dicarboxylic acid
  • 6-butyl-4,10-diketo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
  • 6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid
  • bufrolin
  • bufrolin [ban:inn]
CAS Number(s)
  • 54867-56-0
InChIKey BQVIONBNDNFCCP-UHFFFAOYSA-N
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