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ScientificNameLabel
3-Allylguaiacol
PHCD compound ID : 5330
Chemical Names :
3-Allylguaiacol
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: 3-allyl-2-methoxy-phenol , 2-methoxy-3-prop-2-enylphenol , 2-methoxy-3-prop-2-enyl-phenol
Smiles: COc1c(CC=C)cccc1O
InChi : InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-4,6-7,11H,1,5H2,2H3
InChi Key : InChIKey=HKHVWTUGAJEQNP-UHFFFAOYSA-N
PubChem ID : 596373
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.102507
Hydrogen bond donor count : 1 Electric dipole moment : 2.072
XLogP : 2.012 VDW volume : 165.294465
Molecular weight : 164.08373 HOMO-LUMO gap : 9.107000
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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