3,5-Dihydroxy-4-{[(1-Methyl-3-Pyridiniumyl)Carbonyl]Oxy}Benzoate
Properties
Property | Value |
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Formula | C14H11NO6 |
IUPAC Name | 5-carboxy-3-hydroxy-2-(1-methylpyridin-1-ium-3-carbonyl)oxy-phenolate |
Molecular Mass | 289.240 g·mol−1 |
Heat of Formation | -677.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.93 ± 1.08 D |
Volume | 313.92 Å 3 |
Surface Area | 289.26 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | -1.25 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | KIDWQBQBVJXTPW-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |