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ScientificNameLabel
Hydroxycaffeic
PHCD compound ID : 4343
Chemical Names :
Hydroxycaffeic , Hydroxycaffeic acid
Molecular Formula : C9H8O5
Molecular Weight : 196.037173
More Details :
Names & Synonyms: (E)-3-(2,3,4-trihydroxyphenyl)prop-2-enoic acid , (E)-3-(2,3,4-trihydroxyphenyl)-2-propenoic acid , (E)-3-[2,3,4-tris(oxidanyl)phenyl]prop-2-enoic acid , (E)-3-(2,3,4-trihydroxyphenyl)acrylic acid
Smiles: OC(=O)/C=C/c1ccc(c(c1O)O)O
InChi : InChI=1S/C9H8O5/c10-6-3-1-5(2-4-7(11)12)8(13)9(6)14/h1-4,10,13-14H,(H,11,12)/b4-2+
InChi Key : InChIKey=RHGWNBSOWGUGPA-DUXPYHPUSA-N
PubChem ID : 21889163
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.096791
Hydrogen bond donor count : 4 Electric dipole moment : 3.883
XLogP : 1.236 VDW volume : 171.732702
Molecular weight : 196.037173 HOMO-LUMO gap : 8.000000
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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