(5S,6S)-6-Amino-5-Hydroxy-1,3-Cyclohexadiene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C7H9NO3
IUPAC Name (5s,6s)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid
Molecular Mass 155.151 g·mol−1
Heat of Formation -430.4 ± 16.7 kJ·mol−1
Dipole Moment 0.43 ± 1.08 D
Volume 179.77 Å 3
Surface Area 176.0 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-trans-2,3-dihydro-3-hydroxyanthranilic acid
  • (5s,6s)-6-amino-5-hydroxy-1-cyclohexa-1,3-dienecarboxylic acid
  • (5s,6s)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid
  • (5s,6s)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylic acid
  • hha
InChIKey XBTXTLKLSHACSS-WDSKDSINSA-N
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