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ScientificNameLabel
Hydroxymaltol
PHCD compound ID : 579
Chemical Names :
4H-Pyran-4-one,3,5-dihydroxy-2-methyl- , 5-hydroxymaltol , Hydroxymaltol
Molecular Formula : C6H6O4
Molecular Weight : 142.026609
More Details :
Names & Synonyms: 3,5-dihydroxy-2-methyl-pyran-4-one , 3,5-dihydroxy-2-methyl-4-pyranone , 3,5-dihydroxy-2-methylpyran-4-one , 2-methyl-3,5-bis(oxidanyl)pyran-4-one
Smiles: Cc1occ(c(=O)c1O)O
InChi : InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3
InChi Key : InChIKey=SSSNQLHKSUJJTE-UHFFFAOYSA-N
PubChem ID : 70627
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.986880
Hydrogen bond donor count : 2 Electric dipole moment : 5.695
XLogP : 1.255 VDW volume : 127.227438
Molecular weight : 142.026609 HOMO-LUMO gap : 8.532000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
243.      Journal:'Phytother. Res'      Year:'2015'      Volume:'29'      Page:'1'      DOI:'10.1002/ptr.5222'      Title:'Alhagi: A Plant Genus Rich in Bioactives for Pharmaceuticals'
295.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'140'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Alhagi pseudalhagi'
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