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ScientificNameLabel
4-hydroxy-8,9-didehydrothymol dimethyl ether
PHCD compound ID : 2131
Chemical Names :
4-hydroxy-8,9-didehydrothymol dimethyl ether
Molecular Formula : C12H16O2
Molecular Weight : 192.11503
More Details :
Names & Synonyms:
Smiles: COc1cc(C(=C)C)c(cc1C)OC
InChi : InChI=1S/C12H16O2/c1-8(2)10-7-11(13-4)9(3)6-12(10)14-5/h6-7H,1H2,2-5H3
InChi Key : InChIKey=BKYVJXZONZSTIB-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.100734
Hydrogen bond donor count : 0 Electric dipole moment : 1.137
XLogP : 2.513 VDW volume : 199.886434
Molecular weight : 192.11503 HOMO-LUMO gap : 8.000000
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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