(1R,3S)-3-Ammoniocyclohexanecarboxylate

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Properties Simple | Detailed

Formula C7H13NO2
IUPAC Name (1r,3s)-3-azaniumylcyclohexanecarboxylate
Molecular Mass 143.184 g·mol−1
Heat of Formation -465.5 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 182.41 Å 3
Surface Area 178.49 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-3-ammonio-1-cyclohexanecarboxylate
  • (1r,3s)-3-ammoniocyclohexane-1-carboxylate
  • (1r,3s)-3-azaniumylcyclohexane-1-carboxylate
CAS Number(s)
  • 38541-66-1
  • 41235-88-5
InChIKey CKTUXQBZPWBFDX-RITPCOANSA-N
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