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1,7-dimethylnaphthalene
PHCD compound ID : 5271
Chemical Names :
1,7-dimethylnaphthalene
Molecular Formula : C12H12
Molecular Weight : 156.0939
More Details :
Names & Synonyms: 1,7-dimethylnaphthalene
Smiles: Cc1ccc2c(c1)c(C)ccc2
InChi : InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
InChi Key : InChIKey=SPUWFVKLHHEKGV-UHFFFAOYSA-N
PubChem ID : 11326
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.615838
Hydrogen bond donor count : 0 Electric dipole moment : 1.127
XLogP : 4.008 VDW volume : 156.413063
Molecular weight : 156.0939 HOMO-LUMO gap : 8.243000
Herb list :
Refrences & Litretures:
  
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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