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ScientificNameLabel
pentythiophene
PHCD compound ID : 4567
Chemical Names :
pentythiophene
Molecular Formula : C9H14S1
Molecular Weight : 154.081621
More Details :
Names & Synonyms: 2-pentylthiophene , 2-amylthiophene
Smiles: CCCCCc1cccs1
InChi : InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChi Key : InChIKey=NOYVOSGVFSEKPR-UHFFFAOYSA-N
PubChem ID : 20995
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.939179
Hydrogen bond donor count : 0 Electric dipole moment : 0.850
XLogP : 3.27 VDW volume : 154.199968
Molecular weight : 154.081621 HOMO-LUMO gap : 8.745000
Herb list :
Refrences & Litretures:
  
702.      Journal:'J Microbiol Biotech Food Sci'      Year:'2014'      Volume:'3'      Page:'402'      DOI:''      Title:'CHEMICAL COMPOSITION, ANTIOXIDANT AND ANTIMICROBIAL ACTIVITY OF ALLIUM HIRTIFOLIUM ESSENTIAL OIL'
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