LBF08000BC03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA7056 | |LipidBank=DFA7056 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA7056 |
| LipidMaps | LMFA01020088 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF08000BC03.mol |
| |
| Structural Information | |
| Systematic Name | 2-Methyloctanoic Acid |
| Common Name | |
| Symbol | |
| Formula | C9H18O2 |
| Exact Mass | 158.13067981999998 |
| Average Mass | 158.23802 |
| SMILES | CCCCCCC(C)C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | 163°C/2mmHg, 244-246°C/760mmHg <<7054>> |
| Density | D0/4: 0.9098, D18/: 0.90325 <<7054>> |
| Optical Rotation | h25/D: 1.4274 <<7055>> |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | , D0/4: 0.9098, D18/: 0.90325 <<7054>> |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
