3-Nonanone

ScientificNameLabel

3-Nonanone
PHCD compound ID :	5507
Chemical Names :	3-Nonanone
Molecular Formula :	C9H18O1
Molecular Weight :	142.135765

More Details :

Names & Synonyms:	nonan-3-one , 3-nonanone
Smiles:	CCCCCCC(=O)CC
InChi :	InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
InChi Key :	InChIKey=IYTXKIXETAELAV-UHFFFAOYSA-N
PubChem ID :	61235

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.972885
Hydrogen bond donor count :	0	Electric dipole moment :	2.898
XLogP :	2.967	VDW volume :	170.374088
Molecular weight :	142.135765	HOMO-LUMO gap :	10.969000

Herb list :

Globe thistle - Echinops robustus - شکرتیغال غول آسا

Refrences & Litretures:


923. Journal:'Letters in Applied NanoBioScience' Year:'2020' Volume:'9' Page:'849' DOI:'10.33263/LIANBS91.849852' Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'

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