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ScientificNameLabel
Beta-Homocyclocitral
PHCD compound ID : 3619
Chemical Names :
Beta-Homocyclocitral
Molecular Formula : C11H18O1
Molecular Weight : 166.135765
More Details :
Names & Synonyms: 2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde , 2-(2,6,6-trimethyl-1-cyclohexenyl)acetaldehyde , 2-(2,6,6-trimethylcyclohexen-1-yl)ethanal
Smiles: O=CCC1=C(C)CCCC1(C)C
InChi : InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
InChi Key : InChIKey=VHTFHZGAMYUZEP-UHFFFAOYSA-N
PubChem ID : 61124
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.222446
Hydrogen bond donor count : 0 Electric dipole moment : 3.299
XLogP : 3.131 VDW volume : 189.97314
Molecular weight : 166.135765 HOMO-LUMO gap : 10.073000
Herb list :
Refrences & Litretures:
  
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
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