Formula |
C8H9NO4 |
IUPAC Name |
5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-1-ium-3-ide-3-carboxylic acid |
Molecular Mass |
183.161 g·mol−1 |
Heat of Formation |
-652.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.09 ± 1.08 D |
Volume |
200.53 Å 3 |
Surface Area |
194.61 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
-1.55 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid
- 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid
- 5-hydroxy-6-methyl-4-methylol-nicotinic acid
- 5-pyridoxic acid
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CAS Number(s) |
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InChIKey |
VJZTVPVXKYQRJZ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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