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ScientificNameLabel
Beta-methyl ionone
PHCD compound ID : 1809
Chemical Names :
Beta-n-Methylionone , Beta-methyl ionone
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one , (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-1-penten-3-one
Smiles: CCC(=O)/C=C/C1=C(C)CCCC1(C)C
InChi : InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
InChi Key : InChIKey=LMWNGLDCJDIIBR-CMDGGOBGSA-N
PubChem ID : 5375218
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.283002
Hydrogen bond donor count : 0 Electric dipole moment : 3.189
XLogP : 3.903 VDW volume : 239.224635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.372000
Herb list :
Refrences & Litretures:
  
204.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'208'      DOI:'10.1080/0972060X.2014.976665'      Title:'Evaluation of Chemical Composition and Antimicrobial Activity of Vitex agnus castus L. Fruits’ Essential Oils from West Anatolia, Turkey'
686.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'513'      DOI:'10.1080/0972060X.2014.901607'      Title:'Antioxidant Activities and Chemical Composition of Essential Oils from Satureja khuzestanica, Oliveria decumbens and Thymus daenensis'
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