(2S,5R)-7-Oxo-1-Azabicyclo[3.2.0]Hept-3-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H7NO3
IUPAC Name (2s,5r)-7-oxo-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid
Molecular Mass 153.135 g·mol−1
Heat of Formation -312.3 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 171.23 Å 3
Surface Area 171.35 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r)-7-keto-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid
CAS Number(s)
  • 110453-77-5
InChIKey QJJUCBSLEIAKSQ-WHFBIAKZSA-N
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