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ScientificNameLabel
6-Methyl-3,5-heptadien-2-one
PHCD compound ID : 3939
Chemical Names :
6-Methyl-3,5-heptadiene-2-one , 6-Methyl-3,5-heptadien-2-one
Molecular Formula : C8H12O1
Molecular Weight : 124.088815
More Details :
Names & Synonyms: (3E)-6-methylhepta-3,5-dien-2-one , (3E)-6-methyl-2-hepta-3,5-dienone
Smiles: CC(=C/C=C/C(=O)C)C
InChi : InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+
InChi Key : InChIKey=KSKXSFZGARKWOW-GQCTYLIASA-N
PubChem ID : 5370101
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.242736
Hydrogen bond donor count : 0 Electric dipole moment : 3.509
XLogP : 1.754 VDW volume : 147.805186
Molecular weight : 124.088815 HOMO-LUMO gap : 8.815000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
560.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'213'      DOI:'10.1080/0972060X.2012.10644038'      Title:'Chemical Composition of Essential Oil of Aerial Parts of Cichorium intybus L. from Iran'
752.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'22'      Page:'483'      DOI:'org/10.1080/10412905.2010.9700377'      Title:'Volatile Constituents in Dried Roots of Isatis tinctorial L. (Brassicaceae)'
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