3,4-Didehydroretinoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H26O2
IUPAC Name (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenoic acid
Molecular Mass 298.419 g·mol−1
Heat of Formation -246.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 411.5 Å 3
Surface Area 362.98 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenoic acid
  • 3-dehydroretinoic acid (6ci,7ci)
  • all-trans-3,4-didehydro-retinoic acid
  • lmpr01090020
  • retinoic acid, 3,4-didehydro-
  • ro 8-7057
  • vitamin a2 acid
CAS Number(s)
  • 115397-00-7
  • 20089-81-0
  • 4159-20-0
InChIKey SYESMXTWOAQFET-YCNIQYBTSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O