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ScientificNameLabel
2-Isononenal
PHCD compound ID : 5110
Chemical Names :
2-Isononenal
Molecular Formula : C9H16O1
Molecular Weight : 140.120115
More Details :
Names & Synonyms: (E)-7-methyloct-2-enal , (E)-7-methyl-2-octenal , (E)-7-methyloct-2-enal
Smiles: O=C/C=C/CCCC(C)C
InChi : InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8-10/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
InChi Key : InChIKey=FZVMEYWMTUXZJF-GQCTYLIASA-N
PubChem ID : 87291600
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.107100
Hydrogen bond donor count : 0 Electric dipole moment : 4.171
XLogP : 3.496 VDW volume : 167.73763
Molecular weight : 140.120115 HOMO-LUMO gap : 9.801000
Herb list :
Refrences & Litretures:
  
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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