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

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Properties Simple | Detailed

Formula C7H9NO2
IUPAC Name (5s,6s)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carbaldehyde
Molecular Mass 139.152 g·mol−1
Heat of Formation -192.4 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 168.25 Å 3
Surface Area 164.87 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6s)-6-amino-1-formyl-5-hydroxyl-1,3-cyclohexadiene
  • (5s,6s)-6-amino-5-hydroxy-1-cyclohexa-1,3-dienecarboxaldehyde
  • (5s,6s)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carbaldehyde
  • (5s,6s)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbaldehyde
  • (5s-e)-6-amino-5-hydroxy-1,3-cyclohexadiene-1-carboxaldehyde
  • 1,3-cyclohexadiene-1-carboxaldehyde, 6-amino-5-hydroxy-, (5s-e)-
  • 1,3-cyclohexadiene-1-carboxaldehyde, 6-amino-5-hydroxy-, (5s-trans)-
  • antibiotic p 3355
  • p-3355
  • p3355
CAS Number(s)
  • 60046-57-3
InChIKey CAMXQXZPGMWBPD-BQBZGAKWSA-N
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