DHD

2,4-DIOXO-PENTANEDIOIC ACID

Created: 1999-07-14
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count14
Aromatic Bond Count0
2D diagram of DHD

Chemical Component Summary

Name2,4-DIOXO-PENTANEDIOIC ACID
Systematic Name (OpenEye OEToolkits)2,4-dioxopentanedioic acid
FormulaC5 H4 O6
Molecular Weight160.082
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(C(=O)O)CC(=O)C(=O)O
SMILESCACTVS3.341OC(=O)C(=O)CC(=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(=O)C(=O)O)C(=O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)C(=O)CC(=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(C(=O)C(=O)O)C(=O)C(=O)O
InChIInChI1.03 InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)
InChIKeyInChI1.03 TVKBBTQJNQDZRU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 444873
ChEBI CHEBI:42056