DHD
2,4-DIOXO-PENTANEDIOIC ACID
Created: | 1999-07-14 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 15 |
Chiral Atom Count | 0 |
Bond Count | 14 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2,4-DIOXO-PENTANEDIOIC ACID |
Systematic Name (OpenEye OEToolkits) | 2,4-dioxopentanedioic acid |
Formula | C5 H4 O6 |
Molecular Weight | 160.082 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C(=O)O)CC(=O)C(=O)O |
SMILES | CACTVS | 3.341 | OC(=O)C(=O)CC(=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)C(=O)C(=O)O |
Canonical SMILES | CACTVS | 3.341 | OC(=O)C(=O)CC(=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)C(=O)O)C(=O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11) |
InChIKey | InChI | 1.03 | TVKBBTQJNQDZRU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 444873 |
ChEBI | CHEBI:42056 |