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ScientificNameLabel
3-Decanone
PHCD compound ID : 4208
Chemical Names :
3-Decanone , Decanone<3>
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: decan-3-one , 3-decanone
Smiles: CCCCCCCC(=O)CC
InChi : InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h3-9H2,1-2H3
InChi Key : InChIKey=XJLDYKIEURAVBW-UHFFFAOYSA-N
PubChem ID : 13576
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.975309
Hydrogen bond donor count : 0 Electric dipole moment : 2.939
XLogP : 3.536 VDW volume : 187.670073
Molecular weight : 156.151415 HOMO-LUMO gap : 10.968000
Herb list :
Refrences & Litretures:
  
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'
653.      Journal:'Afr. J. Biotechnol'      Year:'2012'      Volume:'11'      Page:'12921'      DOI:'10.5897/AJB12.1570'      Title:'The essential oil composition of Carthamus tinctorius L. flowers growing in Iran'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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