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ScientificNameLabel
6-methoxy-8,9-didehydrothymol isobutyrate
PHCD compound ID : 2136
Chemical Names :
6-methoxy-8,9-didehydrothymol isobutyrate
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms:
Smiles: COc1cc(C(=C)C)c(cc1C)OC(=O)C(C)C
InChi : InChI=1S/C15H20O3/c1-9(2)12-8-13(17-6)11(5)7-14(12)18-15(16)10(3)4/h7-8,10H,1H2,2-6H3
InChi Key : InChIKey=RAYYNRAGVLKWIV-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.601349
Hydrogen bond donor count : 0 Electric dipole moment : 2.070
XLogP : 2.929 VDW volume : 257.928156
Molecular weight : 248.141245 HOMO-LUMO gap : 8.732000
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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