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ScientificNameLabel
exo-Isocitral
PHCD compound ID : 4510
Chemical Names :
exo-Isocitral
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: 7-methyl-3-methylene-oct-6-enal , 7-methyl-3-methylene-6-octenal , 7-methyl-3-methylideneoct-6-enal , 7-methyl-3-methylidene-oct-6-enal
Smiles: O=CCC(=C)CCC=C(C)C
InChi : InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3
InChi Key : InChIKey=ODULZPPCXSTHDT-UHFFFAOYSA-N
PubChem ID : 108662
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.274099
Hydrogen bond donor count : 0 Electric dipole moment : 1.602
XLogP : 2.863 VDW volume : 182.397156
Molecular weight : 152.120115 HOMO-LUMO gap : 9.805000
Herb list :
Refrences & Litretures:
  
670.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'400'      DOI:'10.1080/10412905.2014.964428'      Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
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