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ScientificNameLabel
2(5H)-Furanone
PHCD compound ID : 1089
Chemical Names :
2(5H)-Furanone , Gamma-crotonolactone , Tau-Crotonolactone
Molecular Formula : C4H4O2
Molecular Weight : 84.021129
More Details :
Names & Synonyms: 2H-furan-5-one
Smiles: C1OC(=O)C=C1
InChi : InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
InChi Key : InChIKey=VIHAEDVKXSOUAT-UHFFFAOYSA-N
PubChem ID : 10341
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.951463
Hydrogen bond donor count : 0 Electric dipole moment : 4.812
XLogP : 0.308 VDW volume : 77.691475
Molecular weight : 84.021129 HOMO-LUMO gap : 10.327000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
377.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'756'      DOI:'10.3109/13880209.2010.547206'      Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'
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