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5,5-Diethoxy-2-pentanone
PHCD compound ID : 3551
Chemical Names :
5,5-Diethoxy-2-pentanone
Molecular Formula : C9H18O3
Molecular Weight : 174.125594
More Details :
Names & Synonyms: 5,5-diethoxypentan-2-one , 5,5-diethoxy-2-pentanone
Smiles: CCOC(CCC(=O)C)OCC
InChi : InChI=1S/C9H18O3/c1-4-11-9(12-5-2)7-6-8(3)10/h9H,4-7H2,1-3H3
InChi Key : InChIKey=BRQZMIVIOUPIFN-UHFFFAOYSA-N
PubChem ID : 536886
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.886610
Hydrogen bond donor count : 0 Electric dipole moment : 3.940
XLogP : 1.013 VDW volume : 187.954542
Molecular weight : 174.125594 HOMO-LUMO gap : 11.079000
Herb list :
Refrences & Litretures:
  
499.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'585'      DOI:''      Title:'GC/MS STUDY OF THE CHLOROFORM FRACTION OF Melilotus officinalis'
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