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ScientificNameLabel
Diethoxymethane
PHCD compound ID : 2322
Chemical Names :
Diethoxymethane
Molecular Formula : C5H12O2
Molecular Weight : 104.08373
More Details :
Names & Synonyms: ethoxymethoxyethane
Smiles: CCOCOCC
InChi : InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChi Key : InChIKey=KLKFAASOGCDTDT-UHFFFAOYSA-N
PubChem ID : 10024
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.163453
Hydrogen bond donor count : 0 Electric dipole moment : 0.627
XLogP : 0.813 VDW volume : 112.616835
Molecular weight : 104.08373 HOMO-LUMO gap : 12.488000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
890.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'126'      DOI:'10.1007/s10600-011-9854-z'      Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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