LBF09000OX02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA0407 | |LipidBank=DFA0407 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA0407 |
| LipidMaps | LMFA01060023 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF09000OX02.mol |
| 3-Caproylpropionic acid | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 4-Oxononanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C9H16O3 |
| Exact Mass | 172.109944378 |
| Average Mass | 172.22154 |
| SMILES | CCCCCC(=O)CCC(O)=O |
| Physicochemical Information | |
| Melting Point | 70-71 °C ( Crystalline mass decomposes at ordinary temperatures to 2-octanone / methyl hexyl ketone. ) |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | <<0458>> |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
