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3,4-Dimethoxystyrene
PHCD compound ID : 5331
Chemical Names :
3,4-Dimethoxystyrene
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: 1,2-dimethoxy-4-vinyl-benzene , 4-ethenyl-1,2-dimethoxybenzene , 4-ethenyl-1,2-dimethoxy-benzene
Smiles: COc1cc(C=C)ccc1OC
InChi : InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
InChi Key : InChIKey=NJXYTXADXSRFTJ-UHFFFAOYSA-N
PubChem ID : 61400
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.550237
Hydrogen bond donor count : 0 Electric dipole moment : 2.502
XLogP : 2.151 VDW volume : 165.294465
Molecular weight : 164.08373 HOMO-LUMO gap : 8.579000
Herb list :
Refrences & Litretures:
  
867.      Journal:'Parasitol Res'      Year:'2013'      Volume:'112'      Page:'1197'      DOI:'10.1007/s00436-012-3251-9'      Title:'Essential oil composition and larvicidal activity of Toddalia asiatica roots against the mosquito Aedes albopictus (Diptera: Culicidae)'
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