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ScientificNameLabel
1-Acetoxy-2-butanone
PHCD compound ID : 4791
Chemical Names :
1-Acetoxy-2-butanone
Molecular Formula : C6H10O3
Molecular Weight : 130.062994
More Details :
Names & Synonyms: 2-oxobutyl acetate , acetic acid 2-oxobutyl ester , 2-oxidanylidenebutyl ethanoate , acetic acid 2-ketobutyl ester
Smiles: CCC(=O)COC(=O)C
InChi : InChI=1S/C6H10O3/c1-3-6(8)4-9-5(2)7/h3-4H2,1-2H3
InChi Key : InChIKey=LHGWJCBYBIICPP-UHFFFAOYSA-N
PubChem ID : 15302
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.187235
Hydrogen bond donor count : 0 Electric dipole moment : 0.949
XLogP : 0.141 VDW volume : 133.430129
Molecular weight : 130.062994 HOMO-LUMO gap : 10.890000
Herb list :
Refrences & Litretures:
  
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
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