BMMCBZ2Pk037
From Metabolomics.JP
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| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2P with 2 substitutions (para) (64 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 99-94-5 |
| KEGG | C01454 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pk037.mol |
| Toluate | |
|---|---|
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| Structural Information | |
| Systematic Name | 4-Methylbenzoic acid |
| Common Name |
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| Symbol | |
| Formula | C8H8O2 |
| Exact Mass | 136.0524 |
| Average Mass | 136.1479 |
| SMILES | Cc(c1)ccc(c1)C(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
