4-Heptanone

ScientificNameLabel

4-Heptanone
PHCD compound ID :	4014
Chemical Names :	4-Heptanone
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	heptan-4-one , 4-heptanone
Smiles:	CCCC(=O)CCC
InChi :	InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
InChi Key :	InChIKey=HCFAJYNVAYBARA-UHFFFAOYSA-N
PubChem ID :	31246

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.992545
Hydrogen bond donor count :	0	Electric dipole moment :	3.049
XLogP :	1.829	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	10.970000

Herb list :

Globe thistle - Echinops robustus - شکرتیغال غول آسا

Hazel, Filbert - Corylus avellana - فندق

Refrences & Litretures:


552. Journal:'Radiation Physics and Chemistry' Year:'2009' Volume:'78' Page:'407' DOI:'10.1016/j.radphyschem.2009.03.008' Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'
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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