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ScientificNameLabel
5,5-Dimethyl-3-enolide
PHCD compound ID : 4465
Chemical Names :
5,5-Dimethyl-3-enolide
Molecular Formula : C6H8O2
Molecular Weight : 112.052429
More Details :
Names & Synonyms: 5,5-dimethylfuran-2-one , 5,5-dimethyl-2-furanone
Smiles: O=C1C=CC(O1)(C)C
InChi : InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3
InChi Key : InChIKey=YNKQMZRTPPVLLL-UHFFFAOYSA-N
PubChem ID : 29909
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.783083
Hydrogen bond donor count : 0 Electric dipole moment : 5.043
XLogP : 0.944 VDW volume : 112.283444
Molecular weight : 112.052429 HOMO-LUMO gap : 10.295000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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