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ScientificNameLabel
2-Methylocta-2,4,6-triene
PHCD compound ID : 1022
Chemical Names :
2-Methylocta-2,4,6-triene
Molecular Formula : C9H14
Molecular Weight : 122.10955
More Details :
Names & Synonyms: 2-methylocta-2,4,6-triene
Smiles: C/C=C/C=C/C=C(C)C
InChi : InChI=1S/C9H14/c1-4-5-6-7-8-9(2)3/h4-8H,1-3H3/b5-4+,7-6+
InChi Key : InChIKey=AHXXJOUHGBPWGW-YTXTXJHMSA-N
PubChem ID : 53643885
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.318204
Hydrogen bond donor count : 0 Electric dipole moment : 0.793
XLogP : 3.76 VDW volume : 156.310944
Molecular weight : 122.10955 HOMO-LUMO gap : 8.288000
Herb list :
Refrences & Litretures:
  
105.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'859'      DOI:''      Title:'Composition and Antibacterial Activity of Essential Oils from Leaf, Stem and Root of Chrysanthemum parthenium (L.) Bernh. from Iran'
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