hexanenitrile

ScientificNameLabel

hexanenitrile
PHCD compound ID :	4755
Chemical Names :	hexanenitrile
Molecular Formula :	C6H11N1
Molecular Weight :	97.089149

More Details :

Names & Synonyms:	hexanenitrile
Smiles:	CCCCCC#N
InChi :	InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
InChi Key :	InChIKey=AILKHAQXUAOOFU-UHFFFAOYSA-N
PubChem ID :	12352

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	11.567931
Hydrogen bond donor count :	0	Electric dipole moment :	4.113
XLogP :	1.991	VDW volume :	118.056209
Molecular weight :	97.089149	HOMO-LUMO gap :	12.783000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


753. Journal:'Journal of Essential Oil Research' Year:'2006' Volume:'18' Page:'508' DOI:'org/10.1080/10412905.2006.9699155' Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'

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