CEJ

CYCLOPENTANE-1,3-DIONE

Created:2006-03-26
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count13
Aromatic Bond Count0
2D diagram of CEJ

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Chemical Component Summary

NameCYCLOPENTANE-1,3-DIONE
Systematic Name (OpenEye OEToolkits)cyclopentane-1,3-dione
FormulaC5 H6 O2
Molecular Weight98.1
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1CC(=O)CC1
SMILESCACTVS3.341O=C1CCC(=O)C1
SMILESOpenEye OEToolkits1.5.0C1CC(=O)CC1=O
Canonical SMILESCACTVS3.341 O=C1CCC(=O)C1
Canonical SMILESOpenEye OEToolkits1.5.0 C1CC(=O)CC1=O
InChIInChI1.03 InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKeyInChI1.03 LOGSONSNCYTHPS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 77466
ChEMBL CHEMBL224233
ChEBI CHEBI:41456