1-[3-(Hexyloxy)Benzyl]-4-Hydroxy-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H23NO5+
IUPAC Name 1-[(3-hexoxyphenyl)methyl]-4-hydroxy-2-oxo-pyridin-1-ium-3-ide-3-carboxylic acid
Molecular Mass 345.390 g·mol−1
Heat of Formation -818.6 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 423.25 Å 3
Surface Area 387.73 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey IEFKPWNGVIDYEA-UHFFFAOYSA-N
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