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ScientificNameLabel
Ethylene brassylate
PHCD compound ID : 1065
Chemical Names :
Ethylene brassylate
Molecular Formula : C15H26O4
Molecular Weight : 270.183109
More Details :
Names & Synonyms: 1,4-dioxacycloheptadecane-5,17-dione , 1,4-dioxacycloheptadecane-5,17-quinone
Smiles: O=C1CCCCCCCCCCCC(=O)OCCO1
InChi : InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChi Key : InChIKey=XRHCAGNSDHCHFJ-UHFFFAOYSA-N
PubChem ID : 61014
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.701981
Hydrogen bond donor count : 0 Electric dipole moment : 1.629
XLogP : 4.421 VDW volume : 285.527759
Molecular weight : 270.183109 HOMO-LUMO gap : 11.819000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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