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ScientificNameLabel
3-Dodecanone
PHCD compound ID : 3130
Chemical Names :
3-Dodecanone
Molecular Formula : C12H24O1
Molecular Weight : 184.182715
More Details :
Names & Synonyms: dodecan-3-one , 3-dodecanone
Smiles: CCCCCCCCCC(=O)CC
InChi : InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h3-11H2,1-2H3
InChi Key : InChIKey=PERIHWAPLOBAJM-UHFFFAOYSA-N
PubChem ID : 15229
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.975105
Hydrogen bond donor count : 0 Electric dipole moment : 2.934
XLogP : 4.674 VDW volume : 222.262042
Molecular weight : 184.182715 HOMO-LUMO gap : 10.967000
Herb list :
Refrences & Litretures:
  
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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