(9Cis,13Cis)-4,4-Difluororetinoic Acid

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Formula C20H26F2O2
IUPAC Name (2z,4e,6z,8e)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
Molecular Mass 336.416 g·mol−1
Heat of Formation -772.0 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 435.26 Å 3
Surface Area 361.51 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2z,4e,6z,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
  • (2z,4e,6z,8e)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
  • 4,4-difluororetinoic acid
  • dfra
  • retinoic acid, 4,4-difluoro-
CAS Number(s)
  • 90660-20-1
InChIKey MKEJTKXMLIOTOD-VOYGUGQBSA-N
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