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Furan,2,5-dibutyl
PHCD compound ID : 3920
Chemical Names :
Furan,2,5-dibutyl
Molecular Formula : C12H20O1
Molecular Weight : 180.151415
More Details :
Names & Synonyms: 2,5-dibutylfuran
Smiles: CCCCc1ccc(o1)CCCC
InChi : InChI=1S/C12H20O/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChi Key : InChIKey=XTBSCDXJHDVPLX-UHFFFAOYSA-N
PubChem ID : 586437
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.756559
Hydrogen bond donor count : 0 Electric dipole moment : 0.815
XLogP : 3.963 VDW volume : 196.369125
Molecular weight : 180.151415 HOMO-LUMO gap : 9.542000
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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