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3,5-octadien-2-one(isomer B)
PHCD compound ID : 2810
Chemical Names :
3,5-octadien-2-one(isomer B)
Molecular Formula : C8H12O1
Molecular Weight : 124.088815
More Details :
Names & Synonyms: (3E,5Z)-octa-3,5-dien-2-one , (3E,5Z)-2-octa-3,5-dienone
Smiles: CC/C=C\C=C\C(=O)C
InChi : InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4-,7-6+
InChi Key : InChIKey=LWRKMRFJEUFXIB-SCFJQAPRSA-N
PubChem ID : 6427789
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.653367
Hydrogen bond donor count : 0 Electric dipole moment : 4.529
XLogP : 2.156 VDW volume : 147.805186
Molecular weight : 124.088815 HOMO-LUMO gap : 9.100000
Herb list :
Refrences & Litretures:
  
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
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