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2,5-Dimethyl-4-hydroxy-2H-furan-3-one
PHCD compound ID : 576
Chemical Names :
3(2H)-Furanone,2,5-dimethyl-4-hydroxy- , 2,5-Dimethyl-4-hydroxy-2H-furan-3-one , 4-Hydroxy-2,5-dimethyl-3(2H)-furanone
Molecular Formula : C6H8O3
Molecular Weight : 128.047344
More Details :
Names & Synonyms: 4-hydroxy-2,5-dimethyl-furan-3-one , 4-hydroxy-2,5-dimethyl-3-furanone , 4-hydroxy-2,5-dimethylfuran-3-one , 2,5-dimethyl-4-oxidanyl-furan-3-one
Smiles: C[C@H]1OC(=C(C1=O)O)C
InChi : InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3/t3-/m1/s1
InChi Key : InChIKey=INAXVXBDKKUCGI-GSVOUGTGSA-N
PubChem ID : 19309
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.953122
Hydrogen bond donor count : 1 Electric dipole moment : 2.223
XLogP : 1.03 VDW volume : 121.07367
Molecular weight : 128.047344 HOMO-LUMO gap : 8.650000
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'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
544.      Journal:'International Journal of Food Properties'      Year:'2013'      Volume:'16'      Page:'18'      DOI:'10.1080/10942912.2010.513616'      Title:'Pakistani Bell Pepper (Capsicum annum L.): Chemical Compositions and its Antioxidant Activity'
553.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'5226'      DOI:'10.1021/jf400807w'      Title:'Sensomics Analysis of Key Hazelnut Odorants (Corylus avellana L.‘Tonda Gentile’) Using Comprehensive Two-Dimensional Gas Chromatography in Combination with Time-of-Flight Mass Spectrometry (GC×GC-TOF-MS)'
727.      Journal:'J Sci Food Agric'      Year:'2008'      Volume:'88'      Page:'280'      DOI:'10.1002/jsfa'      Title:'Antioxidant and antimicrobial activities of essential oil and various oleoresins of Elettaria cardamomum (seeds and pods)'
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