3-[4-[2,3-bis[4-(2-carboxyethyl)phenyl]-1H-tetrazol-1-ium-5-yl]phenyl]propanoic acid,chloride structure
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Common Name | 3-[4-[2,3-bis[4-(2-carboxyethyl)phenyl]-1H-tetrazol-1-ium-5-yl]phenyl]propanoic acid,chloride | ||
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| CAS Number | 81992-63-4 | Molecular Weight | 553.00600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C28H29ClN4O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-[4-[2,3-bis[4-(2-carboxyethyl)phenyl]-1H-tetrazol-1-ium-5-yl]phenyl]propanoic acid,chloride |
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| Synonym | More Synonyms |
| Molecular Formula | C28H29ClN4O6 |
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| Molecular Weight | 553.00600 |
| Exact Mass | 552.17800 |
| PSA | 150.44000 |
| LogP | 5.07390 |
| InChIKey | KVWRURXFRFEOAA-UHFFFAOYSA-N |
| SMILES | O=C(O)CCc1ccc(C2=NN(c3ccc(CCC(=O)O)cc3)N(c3ccc(CCC(=O)O)cc3)[NH2+]2)cc1.[Cl-] |
| 2H-Tetrazolium,2,3,5-tris[4-(2-carboxyethyl)phenyl]-,chloride |