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Furan,2,5-dibutyl
ScientificNameLabel
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 :
Church steeple - Agrimonia eupatoria - غافث
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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