(3E)-3-(3-Isocyano-2-Cyclopenten-1-Ylidene)Propanoic Acid

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Properties Simple | Detailed

Formula C9H10NO2
IUPAC Name (3e)-3-(3-isocyanocyclopent-2-en-1-ylidene)propanoic acid
Molecular Mass 164.181 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 206.62 Å 3
Surface Area 209.57 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-3-(3-isocyano-1-cyclopent-2-enylidene)propanoic acid
  • (3e)-3-(3-isocyano-1-cyclopent-2-enylidene)propionic acid
  • 3-(3-isocyanocyclopent-2-enylidene)propionic acid
  • 3-icpep
CAS Number(s)
  • 73372-49-3
InChIKey SBHNPHNIVBXIMQ-XVNBXDOJSA-N
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