5-phenyl-1,3-pentadiyne

ScientificNameLabel

5-phenyl-1,3-pentadiyne
PHCD compound ID :	2031
Chemical Names :	5-phenyl-1,3-pentadiyne
Molecular Formula :	C11H8
Molecular Weight :	140.0626

More Details :

Names & Synonyms:	penta-2,4-diynylbenzene
Smiles:	C#CC#CCc1ccccc1
InChi :	InChI=1S/C11H8/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,8H2
InChi Key :	InChIKey=ZZGANZXITREHOP-UHFFFAOYSA-N
PubChem ID :	587245

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.712579
Hydrogen bond donor count :	0	Electric dipole moment :	1.159
XLogP :	3.221	VDW volume :	157.10062
Molecular weight :	140.0626	HOMO-LUMO gap :	9.768000

Herb list :

Tarragon, Wild dragon - Artemisia dracunculus - ترخون

Refrences & Litretures:


239. Journal:'J. Agric. Food Chem' Year:'2011' Volume:'59' Page:'11367' DOI:'10.1021/jf202277w' Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
240. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'331' DOI:'10.1080/0972060X.2010.10643830' Title:'Essential Oil Composition of Artemisia dracunculus L. (Tarragon) Growing in Kashmir -India'

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