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3,4,5-Trimethoxybenzoic acid,methyl ester
PHCD compound ID : 4577
Chemical Names :
3,4,5-Trimethoxybenzoic acid,methyl ester
Molecular Formula : C11H14O5
Molecular Weight : 226.084124
More Details :
Names & Synonyms: methyl 3,4,5-trimethoxybenzoate , 3,4,5-trimethoxybenzoic acid methyl ester
Smiles: COC(=O)c1cc(OC)c(c(c1)OC)OC
InChi : InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChi Key : InChIKey=KACHFMOHOPLTNX-UHFFFAOYSA-N
PubChem ID : 15956
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.843939
Hydrogen bond donor count : 0 Electric dipole moment : 4.484
XLogP : 1.39 VDW volume : 208.96113
Molecular weight : 226.084124 HOMO-LUMO gap : 8.347000
Herb list :
Refrences & Litretures:
  
703.      Journal:'BioMed Research International'      Year:'2013'      Volume:'2013'      Page:'1'      DOI:'10.1155/2013/696835'      Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'
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