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ScientificNameLabel
2-Dodecanone
PHCD compound ID : 2826
Chemical Names :
2-Dodecanone , Dodecan-2-one
Molecular Formula : C12H24O1
Molecular Weight : 184.182715
More Details :
Names & Synonyms: dodecan-2-one , 2-dodecanone
Smiles: CCCCCCCCCCC(=O)C
InChi : InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
InChi Key : InChIKey=LSKONYYRONEBKA-UHFFFAOYSA-N
PubChem ID : 22556
Rotatable bond count : 9 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.107857
Hydrogen bond donor count : 0 Electric dipole moment : 3.092
XLogP : 4.99 VDW volume : 222.262042
Molecular weight : 184.182715 HOMO-LUMO gap : 11.054000
Herb list :
Refrences & Litretures:
  
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
427.      Journal:'Food Chemistry'      Year:'2013'      Volume:'141'      Page:'253'      DOI:'10.1016/j.foodchem.2013.03.007'      Title:'Chemical composition and antimicrobial activity of the essential oils from four Ruta species growing in Algeria'
428.      Journal:'World Appl. Sci. J'      Year:'2009'      Volume:'7'      Page:'124'      DOI:''      Title:'Volatile Composition of Ruta graveolens L. of North of Iran'
430.      Journal:'Phytochemistry'      Year:'2002'      Volume:'61'      Page:'573'      DOI:''      Title:'Potential allelochemicals from the essential oil of Ruta graveolens'
462.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2012'      Volume:''      Page:'6497272'      DOI:'10.1155/2012/649727'      Title:'Chemical Composition and In Vitro Cytotoxic Activity of Essential Oil of Leaves of Malus domestica Growing in Western Himalaya (India)'
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