(3Z,5E)-6-Hydroxy-5-Nitro-2-Oxo-Hexa-3,5-Dienoic Acid

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Properties Simple | Detailed

Formula C6H5NO6
IUPAC Name (3z,5e)-6-hydroxy-5-nitro-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 187.107 g·mol−1
Heat of Formation -563.3 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 190.26 Å 3
Surface Area 186.37 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e)-5-(dihydroxyamino)-6-hydroxy-2-keto-hexa-3,5-dienoic acid
  • (3z,5e)-5-(dihydroxyamino)-6-hydroxy-2-oxo-hexa-3,5-dienoic acid
  • xxp
InChIKey UDOBAQIWFWMQMT-BXTBVDPRSA-N
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