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ScientificNameLabel
2-Butylfuran
PHCD compound ID : 3269
Chemical Names :
2-Butylfuran
Molecular Formula : C8H12O1
Molecular Weight : 124.088815
More Details :
Names & Synonyms: 2-butylfuran
Smiles: CCCCc1ccco1
InChi : InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChi Key : InChIKey=NWZIYQNUCXUJJJ-UHFFFAOYSA-N
PubChem ID : 20534
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.116277
Hydrogen bond donor count : 0 Electric dipole moment : 0.904
XLogP : 2.336 VDW volume : 127.185186
Molecular weight : 124.088815 HOMO-LUMO gap : 9.746000
Herb list :
Refrences & Litretures:
  
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
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