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ScientificNameLabel
2-Cyclopentene-1,4-dione
PHCD compound ID : 3934
Chemical Names :
2-Cyclopentene-1,4-dione
Molecular Formula : C5H4O2
Molecular Weight : 96.021129
More Details :
Names & Synonyms: cyclopent-4-ene-1,3-dione , cyclopent-4-ene-1,3-quinone
Smiles: O=C1C=CC(=O)C1
InChi : InChI=1S/C5H4O2/c6-4-1-2-5(7)3-4/h1-2H,3H2
InChi Key : InChIKey=MCFZBCCYOPSZLG-UHFFFAOYSA-N
PubChem ID : 70258
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.596985
Hydrogen bond donor count : 0 Electric dipole moment : 1.182
XLogP : -0.611 VDW volume : 92.351
Molecular weight : 96.021129 HOMO-LUMO gap : 9.258000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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