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Compound: 5546
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2-(Pentenyl)furan
ScientificNameLabel
2-(Pentenyl)furan
PHCD compound ID :
2386
Chemical Names :
2-(Pentenyl)furan
Molecular Formula :
C9H12O1
Molecular Weight :
136.088815
More Details :
Names & Synonyms:
2-[(E)-pent-2-enyl]furan
Smiles:
CC/C=C/Cc1ccco1
InChi :
InChI=1S/C9H12O/c1-2-3-4-6-9-7-5-8-10-9/h3-5,7-8H,2,6H2,1H3/b4-3+
InChi Key :
InChIKey=KQMWMXVDLIDHGY-ONEGZZNKSA-N
PubChem ID :
5369957
Rotatable bond count :
3
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.111886
Hydrogen bond donor count :
0
Electric dipole moment :
0.920
XLogP :
2.578
VDW volume :
141.844712
Molecular weight :
136.088815
HOMO-LUMO gap :
9.705000
Herb list :
Barley - Hordeum vulgare - جو
Refrences & Litretures:
267. Journal:'J Chem Ecol' Year:'2013' Volume:'39' Page:'1129' DOI:'10.1007/s10886-013-0302-3' Title:'Characterization of Volatile Organic Compounds Emitted by Barley (Hordeum vulgare L.) Roots and Their Attractiveness to Wireworms'
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