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ScientificNameLabel
Tetratetracontane
PHCD compound ID : 2699
Chemical Names :
Tetratetracontane
Molecular Formula : C44H90
Molecular Weight : 618.704253
More Details :
Names & Synonyms: tetratetracontane
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChi : InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
InChi Key : InChIKey=KMXFZRSJMDYPPG-UHFFFAOYSA-N
PubChem ID : 23494
Rotatable bond count : 41 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.592635
Hydrogen bond donor count : 0 Electric dipole moment : 0.082
XLogP : 25.376 VDW volume : 769.579782
Molecular weight : 618.704253 HOMO-LUMO gap : 14.531000
Herb list :
Refrences & Litretures:
  
312.      Journal:'Talanta'      Year:'2010'      Volume:'81'      Page:'129'      DOI:'10.1016/j.talanta.2009.11.047'      Title:'Identi?cation of Portulaca oleracea L. from different sources using GC–MS and FT-IR spectroscopy'
369.      Journal:'Avicenna J Phytomed'      Year:'2014'      Volume:'4'      Page:'191'      DOI:''      Title:'Chemical composition of essential oil and anti trichomonas activity of leaf, stem, and flower of Rheum ribes L. extracts'
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