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ScientificNameLabel
Dihydrobeta-ionone
PHCD compound ID : 2524
Chemical Names :
dihydro-beta-ionone , Dihydrobeta-ionone
Molecular Formula : C13H22O1
Molecular Weight : 194.167065
More Details :
Names & Synonyms: 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one , 4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butanone
Smiles: CC(=O)CCC1=C(C)CCCC1(C)C
InChi : InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChi Key : InChIKey=QJJDNZGPQDGNDX-UHFFFAOYSA-N
PubChem ID : 519382
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.973097
Hydrogen bond donor count : 0 Electric dipole moment : 3.154
XLogP : 3.362 VDW volume : 224.565109
Molecular weight : 194.167065 HOMO-LUMO gap : 9.974000
Herb list :
Refrences & Litretures:
  
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
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