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ScientificNameLabel
exo-2-Hydroxycineole acetate
PHCD compound ID : 1791
Chemical Names :
exo-2-Hydroxycineole acetate
Molecular Formula : C12H20O3
Molecular Weight : 212.141245
More Details :
Names & Synonyms: (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) acetate , acetic acid (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) ester , (2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl) ethanoate
Smiles: CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)OC2(C)C
InChi : InChI=1S/C12H20O3/c1-8(13)14-10-7-9-5-6-12(10,4)15-11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1
InChi Key : InChIKey=XRKZFZWIYZDOQO-HOSYDEDBSA-N
PubChem ID : 175002
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.567336
Hydrogen bond donor count : 0 Electric dipole moment : 2.773
XLogP : 2.305 VDW volume : 215.129578
Molecular weight : 212.141245 HOMO-LUMO gap : 10.733000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
847.      Journal:'ORIENTAL JOURNAL OF CHEMISTRY'      Year:'2016'      Volume:'32'      Page:'331'      DOI:'10.13005/ojc/320137'      Title:'A Comparative Study of the Chemical Composition of the Essential oil from Eucalyptus globulus Growing in Dehradun (india) and Around the World'
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