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ScientificNameLabel
1-Tridecyne
PHCD compound ID : 5496
Chemical Names :
1-Tridecyne
Molecular Formula : C13H24
Molecular Weight : 180.187801
More Details :
Names & Synonyms: tridec-1-yne , 1-tridecyne
Smiles: CCCCCCCCCCCC#C
InChi : InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3
InChi Key : InChIKey=GZEDKDBFUBPZNG-UHFFFAOYSA-N
PubChem ID : 117754
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.618952
Hydrogen bond donor count : 0 Electric dipole moment : 1.163
XLogP : 6.602 VDW volume : 228.131341
Molecular weight : 180.187801 HOMO-LUMO gap : 12.294000
Herb list :
Refrences & Litretures:
  
922.      Journal:'Acta Physiol Plant'      Year:'2010'      Volume:'32'      Page:'231'      DOI:'10.1007/s11738-009-0381-5'      Title:'Essential oil composition of Taraxacum of?cinale'
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