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ScientificNameLabel
Veratric
PHCD compound ID : 4345
Chemical Names :
Veratric , Veratric acid
Molecular Formula : C9H10O4
Molecular Weight : 182.057909
More Details :
Names & Synonyms: 3,4-dimethoxybenzoic acid , veratric acid
Smiles: COc1cc(ccc1OC)C(=O)O
InChi : InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
InChi Key : InChIKey=DAUAQNGYDSHRET-UHFFFAOYSA-N
PubChem ID : 7121
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.910040
Hydrogen bond donor count : 1 Electric dipole moment : 2.552
XLogP : 0.829 VDW volume : 165.578934
Molecular weight : 182.057909 HOMO-LUMO gap : 8.333000
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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