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ScientificNameLabel
1-undecyne
PHCD compound ID : 1050
Chemical Names :
1-undecyne , Undecyne-1
Molecular Formula : C11H20
Molecular Weight : 152.156501
More Details :
Names & Synonyms: undec-1-yne , 1-undecyne
Smiles: CCCCCCCCCC#C
InChi : InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h1H,4-11H2,2H3
InChi Key : InChIKey=YVSFLVNWJIEJRV-UHFFFAOYSA-N
PubChem ID : 75249
Rotatable bond count : 7 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 10.618849
Hydrogen bond donor count : 0 Electric dipole moment : 1.162
XLogP : 5.464 VDW volume : 193.539372
Molecular weight : 152.156501 HOMO-LUMO gap : 12.293000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
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