Npc283557
(E)-prop-1-ene-1,2,3-tricarboxylate
Also Known As: Aconitate Ion|trans-Aconitate|trans-aconitate(3-)|trans-Aconitic acid|Aconitic acid, (E)-|ACONITIC ACID, TRANS|(E)-prop-1-ene-1,2,3-tricarboxylate|Npc283557|EINECS 223-688-6|(1E)-prop-1-ene-1,2,3-tricarboxylate|(E)-1-Propene-1,2,3-tricarboxylic acid|1-Propene-1,trans-2,3-tricarboxylic acid|1-Propene-1,2,3-tricarboxylic acid, (E)-|1-Propene-1,2,3-tricarboxylic acid, (1E)-|TRA
CAS: 4023-65-8
| Molecular Formula | C6H3O6-3 |
|---|---|
| Molecular Weight | 170.99297 g/mol |
| LogP | -4.4474 |
| Topological Polar Surface Area | 120.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.99297 |
| Monoisotopic Mass | 170.99297 |
| Heavy Atoms | 12 |
| Complexity | 250.76393 |
Chemical Identifiers
| CAS Number | 4023-65-8 |
|---|---|
| SMILES | C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-] |
Product Overview
Npc283557 (CAS 4023-65-8), with molecular formula C6H3O6-3 and molecular weight 170.99297 g/mol. IUPAC: (E)-prop-1-ene-1,2,3-tricarboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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