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2,5-Dimethyl-4-methoxy-2H-furan-3-one
PHCD compound ID : 2366
Chemical Names :
2,5-Dimethyl-4-methoxy-2H-furan-3-one
Molecular Formula : C7H10O3
Molecular Weight : 142.062994
More Details :
Names & Synonyms: 4-methoxy-2,5-dimethyl-furan-3-one , 4-methoxy-2,5-dimethyl-3-furanone , 4-methoxy-2,5-dimethylfuran-3-one
Smiles: COC1=C(C)O[C@@H](C1=O)C
InChi : InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3/t4-/m1/s1
InChi Key : InChIKey=SIMKGHMLPVDSJE-SCSAIBSYSA-N
PubChem ID : 61325
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.936765
Hydrogen bond donor count : 0 Electric dipole moment : 2.493
XLogP : 0.922 VDW volume : 138.369655
Molecular weight : 142.062994 HOMO-LUMO gap : 8.772000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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