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2,6-Diisopropylanisole
PHCD compound ID : 2123
Chemical Names :
2,6-Diisopropylanisole
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: 1,3-diisopropyl-2-methoxy-benzene , 2-methoxy-1,3-di(propan-2-yl)benzene
Smiles: COc1c(cccc1C(C)C)C(C)C
InChi : InChI=1S/C13H20O/c1-9(2)11-7-6-8-12(10(3)4)13(11)14-5/h6-10H,1-5H3
InChi Key : InChIKey=NJIYPCPZILAPKS-UHFFFAOYSA-N
PubChem ID : 600975
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.232683
Hydrogen bond donor count : 0 Electric dipole moment : 1.444
XLogP : 3.565 VDW volume : 211.028651
Molecular weight : 192.151415 HOMO-LUMO gap : 9.594000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
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