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1.5-Dimethyl-6-oxa-bicyclo[3.1.0]hexane
PHCD compound ID : 3724
Chemical Names :
1.5-Dimethyl-6-oxa-bicyclo[3.1.0]hexane
Molecular Formula : C7H12O1
Molecular Weight : 112.088815
More Details :
Names & Synonyms: 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane
Smiles: C[C@]12CCC[C@@]2(O1)C
InChi : InChI=1S/C7H12O/c1-6-4-3-5-7(6,2)8-6/h3-5H2,1-2H3/t6-,7+
InChi Key : InChIKey=UXMPPYGRAFYWRK-KNVOCYPGSA-N
PubChem ID : 537593
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.906387
Hydrogen bond donor count : 0 Electric dipole moment : 2.156
XLogP : 1.582 VDW volume : 113.70566
Molecular weight : 112.088815 HOMO-LUMO gap : 12.490000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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