5,6-Dihydroxy-O~15~-Methyl-5,6-Dihydroretinoic Acid

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Properties Simple | Detailed

Formula C21H32O4
IUPAC Name methyl (2e,4e,6e,8e)-9-[(1r,2s)-1,2-dihydroxy-2,6,6-trimethyl-cyclohexyl]-3,7-dimethyl-nona-2,4,6,8-tetraenoate
Molecular Mass 348.476 g·mol−1
Heat of Formation -755.3 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 459.1 Å 3
Surface Area 394.64 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey RZAQIXABEIOMSQ-ZNFWXQDMSA-N
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Elements H C O