(2S)-2-[5-Hydroxy-2-(Hydroxymethyl)-1-Pyridiniumyl]Propanoate

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Properties Simple | Detailed

Formula C9H11NO4
IUPAC Name 1-[(1s)-1-carboxyethyl]-6-(hydroxymethyl)pyridin-1-ium-3-olate
Molecular Mass 197.188 g·mol−1
Heat of Formation -579.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 228.03 Å 3
Surface Area 212.74 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey IGOUMBTVEMUDSU-LURJTMIESA-N
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