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ScientificNameLabel
Homoprotocatechuic acid
PHCD compound ID : 3249
Chemical Names :
Homoprotocatechuic acid
Molecular Formula : C8H8O4
Molecular Weight : 168.042259
More Details :
Names & Synonyms: 2-(3,4-dihydroxyphenyl)acetic acid , 2-[3,4-bis(oxidanyl)phenyl]ethanoic acid
Smiles: OC(=O)Cc1ccc(c(c1)O)O
InChi : InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChi Key : InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-N
PubChem ID : 547
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.009813
Hydrogen bond donor count : 3 Electric dipole moment : 1.349
XLogP : 0.465 VDW volume : 148.282949
Molecular weight : 168.042259 HOMO-LUMO gap : 8.785000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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