Nitrilotriacetic acid
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CAS Number 139-13-9
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Catalog Number io-2725
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Classification Acids
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Molecular Weight 191.1400
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SMILES C(C(=O)O)N(CC(=O)O)CC(=O)O
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Nitrilotriacetic Acid can cause cancer according to an independent committee of scientific and health experts.
| 1 | NITRILOTRIACETIC ACID |
| 2 | 2,2',2''-nitrilotriacetic acid |
| 3 | Triglycollamic acid |
| 4 | N,N-Bis(carboxymethyl)glycine |
| 5 | Aminotriacetic acid |
| Molecular Formula | C6H9NO6 |
|---|---|
| Canonical SMILES | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| Isomeric SMILES | C(C(=O)O)N(CC(=O)O)CC(=O)O |
| Molecular Weight | 191.1400 |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) |
| XLogP | -3.2000 |
| ExactMass | 191.0430 |
| MonoisotopicMass | 191.0430 |
| TPSA | 115.0000 |
| Complexity | 187.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 3 |
| HBondAcceptorCount | 7 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 121944 |
| PatentFamilyCount | 44736 |
| LiteratureCount | 4996 |
