(2E,4E,6R)-7-[4-(Dimethylamino)Phenyl]-4,6-Dimethyl-7-Oxo-2,4-Heptadienoic Acid

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Properties Simple | Detailed

Formula C17H21NO3
IUPAC Name (2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-hepta-2,4-dienoic acid
Molecular Mass 287.354 g·mol−1
Heat of Formation -392.6 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 366.5 Å 3
Surface Area 334.91 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-trichostatic acid
  • (+)-trichostatsaeure
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxo-hepta-2,4-dienoic acid
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
  • (2e,4e,6r)-7-(4-dimethylaminophenyl)-7-keto-4,6-dimethyl-hepta-2,4-dienoic acid
  • (2e,4e,6r)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
  • (r)-trichostatic acid
InChIKey VKEITMNFEJHFCX-QEQCGCAPSA-N
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