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ScientificNameLabel
6-Methyl-3-heptyne
PHCD compound ID : 3705
Chemical Names :
6-Methyl-3-heptyne
Molecular Formula : C8H14
Molecular Weight : 110.10955
More Details :
Names & Synonyms: 6-methylhept-3-yne , 6-methyl-3-heptyne
Smiles: CCC#CCC(C)C
InChi : InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h8H,4,7H2,1-3H3
InChi Key : InChIKey=UUWGRVSCFPICBP-UHFFFAOYSA-N
PubChem ID : 143122
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.874403
Hydrogen bond donor count : 0 Electric dipole moment : 0.261
XLogP : 3.621 VDW volume : 141.651418
Molecular weight : 110.10955 HOMO-LUMO gap : 11.705000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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