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2,5-dihydroxyacetophenone
PHCD compound ID : 2197
Chemical Names :
2,5-dihydroxyacetophenone , 2,5-Dihydroxy benzaldehyde
Molecular Formula : C8H8O3
Molecular Weight : 152.047344
More Details :
Names & Synonyms: 1-(2,5-dihydroxyphenyl)ethanone , 1-[2,5-bis(oxidanyl)phenyl]ethanone
Smiles: Oc1ccc(c(c1)C(=O)C)O
InChi : InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
InChi Key : InChIKey=WLDWSGZHNBANIO-UHFFFAOYSA-N
PubChem ID : 10279
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.953551
Hydrogen bond donor count : 2 Electric dipole moment : 2.735
XLogP : 0.878 VDW volume : 139.492722
Molecular weight : 152.047344 HOMO-LUMO gap : 8.173000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
269.      Journal:'Zeitschrift fur Naturforschung C'      Year:'1998'      Volume:'53'      Page:'811'      DOI:''      Title:'Chemical Constituents from Shoots of Hordeum vulgare Infested by the Aphid Schizaphis graminum'
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