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8,9-didehydrothymol methyl ether
PHCD compound ID : 2129
Chemical Names :
8,9-didehydrothymol methyl ether
Molecular Formula : C11H14O1
Molecular Weight : 162.104465
More Details :
Names & Synonyms:
Smiles: COc1cc(C)ccc1C(=C)C
InChi : InChI=1S/C11H14O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-7H,1H2,2-4H3
InChi Key : InChIKey=LDQHURFLDDRWGZ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.735671
Hydrogen bond donor count : 0 Electric dipole moment : 2.283
XLogP : 2.695 VDW volume : 173.800223
Molecular weight : 162.104465 HOMO-LUMO gap : 8.992000
Herb list :
Refrences & Litretures:
  
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
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