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2,6-Dimethoxy-p-cymene
PHCD compound ID : 3324
Chemical Names :
2,6-Dimethoxy-p-cymene
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: 5-isopropyl-1,3-dimethoxy-2-methyl-benzene , 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene , 1,3-dimethoxy-2-methyl-5-propan-2-yl-benzene
Smiles: COc1cc(cc(c1C)OC)C(C)C
InChi : InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3
InChi Key : InChIKey=RWENJYLCELUBAE-UHFFFAOYSA-N
PubChem ID : 6428964
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.632660
Hydrogen bond donor count : 0 Electric dipole moment : 1.827
XLogP : 2.837 VDW volume : 202.522893
Molecular weight : 194.13068 HOMO-LUMO gap : 9.179000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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