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ScientificNameLabel
2-Acetyl-5-methylfuran
PHCD compound ID : 1249
Chemical Names :
2-Acetyl-5-methylfuran , Methyl 5-methylfuryl ketone
Molecular Formula : C7H8O2
Molecular Weight : 124.052429
More Details :
Names & Synonyms: 1-(5-methyl-2-furyl)ethanone , 1-(5-methyl-2-furanyl)ethanone , 1-(5-methylfuran-2-yl)ethanone
Smiles: Cc1ccc(o1)C(=O)C
InChi : InChI=1S/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChi Key : InChIKey=KEFJLCGVTHRGAH-UHFFFAOYSA-N
PubChem ID : 14514
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.462726
Hydrogen bond donor count : 0 Electric dipole moment : 4.315
XLogP : 0.835 VDW volume : 116.04297
Molecular weight : 124.052429 HOMO-LUMO gap : 9.085000
Herb list :
Refrences & Litretures:
  
130.      Journal:'J. Sci. Res'      Year:'2009'      Volume:'1'      Page:'387'      DOI:'10.3329/jsr.v1i2.1760'      Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'
174.      Journal:'Agric. Bioi. Chern'      Year:'1983'      Volume:'47'      Page:'2495'      DOI:'10.1080/00021369.1983.10865983'      Title:'Volatile Components of Quince Fruit (Cydonia oblonga Mill.)'
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