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ScientificNameLabel
1-Butanol,4-butoxy
PHCD compound ID : 5100
Chemical Names :
1-Butanol,4-butoxy
Molecular Formula : C8H18O2
Molecular Weight : 146.13068
More Details :
Names & Synonyms: 4-butoxybutan-1-ol , 4-butoxy-1-butanol
Smiles: CCCCOCCCCO
InChi : InChI=1S/C8H18O2/c1-2-3-7-10-8-5-4-6-9/h9H,2-8H2,1H3
InChi Key : InChIKey=OBXQRJAQMQQZMY-UHFFFAOYSA-N
PubChem ID : 20111
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.845504
Hydrogen bond donor count : 1 Electric dipole moment : 0.759
XLogP : 1.377 VDW volume : 164.504789
Molecular weight : 146.13068 HOMO-LUMO gap : 12.186000
Herb list :
Refrences & Litretures:
  
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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