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3,4,5-Trimethoxyphenol
PHCD compound ID : 5413
Chemical Names :
3,4,5-Trimethoxyphenol
Molecular Formula : C9H12O4
Molecular Weight : 184.073559
More Details :
Names & Synonyms: 3,4,5-trimethoxyphenol
Smiles: COc1c(OC)cc(cc1OC)O
InChi : InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChi Key : InChIKey=VTCDZPUMZAZMSB-UHFFFAOYSA-N
PubChem ID : 69505
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.674529
Hydrogen bond donor count : 1 Electric dipole moment : 1.424
XLogP : 1.455 VDW volume : 168.215392
Molecular weight : 184.073559 HOMO-LUMO gap : 8.995000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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