BMMCBZ2Pd006
From Metabolomics.JP
| 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 | 82549-10-8 |
| KEGG | C06646 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2Pd006.mol |
| 2- (4'-Chlorophenyl) -3,3-dichloropropenoate | |
|---|---|
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| Structural Information | |
| Systematic Name | 3,3-Dichloro-2- (4-chlorophenyl) prop-2-enoic acid |
| Common Name |
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| Symbol | |
| Formula | C9H7Cl3O2 |
| Exact Mass | 251.9511 |
| Average Mass | 253.5087 |
| SMILES | OC(=O)C(c(c1)ccc(Cl)c1)C(Cl)Cl |
| Physicochemical Information | |
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| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
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| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
