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ScientificNameLabel
2-Acetonylcyclopentanone
PHCD compound ID : 3714
Chemical Names :
2-Acetonylcyclopentanone
Molecular Formula : C8H12O2
Molecular Weight : 140.08373
More Details :
Names & Synonyms: 2-acetonylcyclopentanone , 2-(2-oxopropyl)-1-cyclopentanone , 2-(2-oxopropyl)cyclopentan-1-one , 2-(2-oxidanylidenepropyl)cyclopentan-1-one
Smiles: CC(=O)C[C@H]1CCCC1=O
InChi : InChI=1S/C8H12O2/c1-6(9)5-7-3-2-4-8(7)10/h7H,2-5H2,1H3/t7-/m1/s1
InChi Key : InChIKey=BFMCCQBOSWKYPC-SSDOTTSWSA-N
PubChem ID : 536514
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.034712
Hydrogen bond donor count : 0 Electric dipole moment : 2.862
XLogP : 0.026 VDW volume : 146.875413
Molecular weight : 140.08373 HOMO-LUMO gap : 10.801000
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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