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ScientificNameLabel
3.4-Dihydroxyacetophenone
PHCD compound ID : 3721
Chemical Names :
3.4-Dihydroxyacetophenone
Molecular Formula : C8H8O3
Molecular Weight : 152.047344
More Details :
Names & Synonyms: 1-(3,4-dihydroxyphenyl)ethanone , 1-[3,4-bis(oxidanyl)phenyl]ethanone
Smiles: CC(=O)c1ccc(c(c1)O)O
InChi : InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChi Key : InChIKey=UCQUAMAQHHEXGD-UHFFFAOYSA-N
PubChem ID : 14530
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.203266
Hydrogen bond donor count : 2 Electric dipole moment : 5.411
XLogP : 0.878 VDW volume : 139.492722
Molecular weight : 152.047344 HOMO-LUMO gap : 8.536000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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