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ScientificNameLabel
2.6-Dimethyl-6-nitro-2-hepten-4-one
PHCD compound ID : 3711
Chemical Names :
2.6-Dimethyl-6-nitro-2-hepten-4-one
Molecular Formula : C9H15N1O3
Molecular Weight : 185.105193
More Details :
Names & Synonyms: 2,6-dimethyl-6-nitro-hept-2-en-4-one , 2,6-dimethyl-6-nitro-2-hepten-4-one , 2,6-dimethyl-6-nitrohept-2-en-4-one
Smiles: O=C(CC([N+](=O)[O-])(C)C)C=C(C)C
InChi : InChI=1S/C9H15NO3/c1-7(2)5-8(11)6-9(3,4)10(12)13/h5H,6H2,1-4H3
InChi Key : InChIKey=IUOGIKAEBUJVDN-UHFFFAOYSA-N
PubChem ID : 557916
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.246065
Hydrogen bond donor count : 0 Electric dipole moment : 5.847
XLogP : 1.498 VDW volume : 193.678385
Molecular weight : 185.105193 HOMO-LUMO gap : 9.966000
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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