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ScientificNameLabel
Levoglucosenone
PHCD compound ID : 5241
Chemical Names :
Levoglucosenone
Molecular Formula : C6H6O3
Molecular Weight : 126.031694
More Details :
Names & Synonyms: (1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one , (1S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
Smiles: O=C1C=C[C@@H]2O[C@H]1OC2
InChi : InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
InChi Key : InChIKey=HITOXZPZGPXYHY-UJURSFKZSA-N
PubChem ID : 699486
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.845234
Hydrogen bond donor count : 0 Electric dipole moment : 4.245
XLogP : -0.326 VDW volume : 108.717212
Molecular weight : 126.031694 HOMO-LUMO gap : 9.103000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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