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ScientificNameLabel
Pyranone
PHCD compound ID : 2967
Chemical Names :
Pyranone
Molecular Formula : C5H4O2
Molecular Weight : 96.021129
More Details :
Names & Synonyms: pyran-2-one , 2-pyranone
Smiles: O=c1cccco1
InChi : InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
InChi Key : InChIKey=ZPSJGADGUYYRKE-UHFFFAOYSA-N
PubChem ID : 68154
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.799339
Hydrogen bond donor count : 0 Electric dipole moment : 4.108
XLogP : 0.418 VDW volume : 92.351
Molecular weight : 96.021129 HOMO-LUMO gap : 8.963000
Herb list :
Refrences & Litretures:
  
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'
901.      Journal:'Journal of Advanced Research'      Year:'2017'      Volume:'8'      Page:'379'      DOI:'10.1016/j.jare.2017.05.002'      Title:'Volatiles pro?ling in Ceratonia siliqua (Carob bean) from Egypt and in response to roasting as analyzed via solid-phase microextraction coupled to chemometrics'
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