(5S)-5-Amino-1,3-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H9NO2
IUPAC Name (5s)-5-azaniumylcyclohexa-1,3-diene-1-carboxylate
Molecular Mass 139.152 g·mol−1
Heat of Formation -264.7 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 168.2 Å 3
Surface Area 170.31 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-5-amino-1,3-cyclohexadiene-1-carboxylic acid
  • (5s)-5-amino-1-cyclohexa-1,3-dienecarboxylic acid
  • (5s)-5-aminocyclohexa-1,3-diene-1-carboxylic acid
  • 1,3-cyclohexadiene-1-carboxylic acid, 5-amino-, (-)-
  • 708-b
CAS Number(s)
  • 59556-29-5
InChIKey KFNRJXCQEJIBER-ZCFIWIBFSA-N
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