12-(3-Carboxyphenyl)Retinoic Acid

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Properties Simple | Detailed

Formula C27H32O4
IUPAC Name 3-[(1z,3e,5e)-1-[(e)-2-carboxy-1-methyl-vinyl]-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]benzoic acid
Molecular Mass 420.541 g·mol−1
Heat of Formation -628.8 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 554.47 Å 3
Surface Area 447.87 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey XKKDQOHDTASHCE-KZEPKJRYSA-N
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Elements H C O