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ScientificNameLabel
Homoveratric acid
PHCD compound ID : 4347
Chemical Names :
Homoveratric acid
Molecular Formula : C10H12O4
Molecular Weight : 196.073559
More Details :
Names & Synonyms: 2-(3,4-dimethoxyphenyl)acetic acid , 2-(3,4-dimethoxyphenyl)ethanoic acid , homoveratric acid
Smiles: COc1cc(ccc1OC)CC(=O)O
InChi : InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChi Key : InChIKey=WUAXWQRULBZETB-UHFFFAOYSA-N
PubChem ID : 7139
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.587195
Hydrogen bond donor count : 1 Electric dipole moment : 3.638
XLogP : 0.678 VDW volume : 182.874918
Molecular weight : 196.073559 HOMO-LUMO gap : 8.620000
Herb list :
Refrences & Litretures:
  
637.      Journal:'JAOCS'      Year:'2002'      Volume:'79'      Page:'335'      DOI:''      Title:'Phenolic Acids of Borage (Borago officinalis L.) and Evening Primrose (Oenothera biennis L.)'
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