13-Cis Acitretin

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (2z,4e,6e,8e)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
Molecular Mass 326.429 g·mol−1
Heat of Formation -416.0 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 429.02 Å 3
Surface Area 389.8 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6e,8e)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
  • (2z,4e,6e,8e)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
  • 13-cis-acitretin
  • 13-cis-etretin
  • 2,4,6,8-noneatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (z,e,e,e)-
  • isoacitretin
  • ro 13-7652
CAS Number(s)
  • 69427-46-9
InChIKey IHUNBGSDBOWDMA-UGOGCBOOSA-N
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