Identifiers & Physical Properties
| CAS No. | 34831-03-3 |
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| Molecular formula | C6H7NNiO6 |
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| Average molar mass | 247.82 g/mol |
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| Monoisotopic mass | 246.962679 g/mol |
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| SMILES | O=C([O-])CN(CC(=O)[O-])CC(=O)O.[Ni+2] |
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| InChIKey | ADHAUWMNDHMUMH-UHFFFAOYSA-L |
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| PubChem CID | 36939 |
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| DTXSID | DTXSID7067873 |
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Chemical & Physical Properties
| Topological polar surface area | 121 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 198 |
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Safety & Regulations
| Regulatory information | Nickelate(1-), N,N-bis(carboxy-.kappa.O)methylglycinato(3-)-.kappa.N,.kappa.O-, hydrogen, (T-4)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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