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ScientificNameLabel
1-(2-Furyl)-1-hexanone
PHCD compound ID : 3919
Chemical Names :
1-(2-Furyl)-1-hexanone
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: 1-(2-furyl)hexan-1-one , 1-(2-furanyl)-1-hexanone , 1-(furan-2-yl)hexan-1-one
Smiles: CCCCCC(=O)c1ccco1
InChi : InChI=1S/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChi Key : InChIKey=YUAYWSBSIJVIBS-UHFFFAOYSA-N
PubChem ID : 61738
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.829503
Hydrogen bond donor count : 0 Electric dipole moment : 3.037
XLogP : 2.559 VDW volume : 167.930924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.319000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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