(2E)-4-[(2-Hydroxy-5-Oxo-1-Cyclopenten-1-Yl)Amino]-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C9H9NO5
IUPAC Name (e)-4-[(2-hydroxy-5-oxo-cyclopenten-1-yl)amino]-4-oxo-but-2-enoic acid
Molecular Mass 211.171 g·mol−1
Heat of Formation -794.9 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 228.32 Å 3
Surface Area 229.13 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[(2-hydroxy-5-keto-1-cyclopentenyl)amino]-4-keto-but-2-enoic acid
  • (e)-4-[(2-hydroxy-5-oxo-1-cyclopentenyl)amino]-4-oxo-but-2-enoic acid
  • 2-butenoic acid, 4-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-4-oxo-, (e)-
  • flavensomycinoic acid
CAS Number(s)
  • 65518-38-9
InChIKey ZQJDMQJACBVIAA-ONEGZZNKSA-N
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