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ScientificNameLabel
4-octen-3one
PHCD compound ID : 1714
Chemical Names :
4-octen-3one , 4-octen-3-one
Molecular Formula : C8H14O1
Molecular Weight : 126.104465
More Details :
Names & Synonyms: (E)-oct-4-en-3-one , (E)-4-octen-3-one
Smiles: CCC/C=C/C(=O)CC
InChi : InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChi Key : InChIKey=JPTOCTSNXXKSSN-VOTSOKGWSA-N
PubChem ID : 5369061
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.927321
Hydrogen bond donor count : 0 Electric dipole moment : 3.088
XLogP : 2.284 VDW volume : 150.441645
Molecular weight : 126.104465 HOMO-LUMO gap : 9.948000
Herb list :
Refrences & Litretures:
  
194.      Journal:'J Nat Pharm Prod'      Year:'2015'      Volume:'10'      Page:'e21968'      DOI:'10.17795/jjnpp-21968'      Title:'Essential Oil of Arial Parts of Adiantum capillus-veneris: Chemical Composition and Antioxidant Activity'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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