Skip Navigation Links
ScientificNameLabel
4-Ethoxy-2-butanone
PHCD compound ID : 3547
Chemical Names :
4-Ethoxy-2-butanone
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: 4-ethoxybutan-2-one , 4-ethoxy-2-butanone
Smiles: CCOCCC(=O)C
InChi : InChI=1S/C6H12O2/c1-3-8-5-4-6(2)7/h3-5H2,1-2H3
InChi Key : InChIKey=YFBGSHHKHHCVDI-UHFFFAOYSA-N
PubChem ID : 536145
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.945656
Hydrogen bond donor count : 0 Electric dipole moment : 3.154
XLogP : 0.248 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 10.989000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us