4-Oxoretinoic Acid

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Properties Simple | Detailed

Formula C20H26O3
IUPAC Name (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Molecular Mass 314.419 g·mol−1
Heat of Formation -464.9 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 419.68 Å 3
Surface Area 370.35 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
  • (2e,4e,6e,8e)-9-(3-keto-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
  • (e)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
  • 4-ketoretinoic acid
  • 4-oxo-all-trans-retinoic acid
  • 4-oxo-tretinoin
  • all-trans-4-oxo-retinoic acid
  • all-trans-4-oxoretinoic acid
  • lmpr01090026
  • retinoic acid, 4-oxo-
  • ro 12-4824
CAS Number(s)
  • 38030-57-8
InChIKey GGCUJPCCTQNTJF-FRCNGJHJSA-N
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