3-Hexanone

ScientificNameLabel

3-Hexanone
PHCD compound ID :	4012
Chemical Names :	3-Hexanone
Molecular Formula :	C6H12O1
Molecular Weight :	100.088815

More Details :

Names & Synonyms:	hexan-3-one , 3-hexanone
Smiles:	CCCC(=O)CC
InChi :	InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChi Key :	InChIKey=PFCHFHIRKBAQGU-UHFFFAOYSA-N
PubChem ID :	11509

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.981685
Hydrogen bond donor count :	0	Electric dipole moment :	2.986
XLogP :	1.26	VDW volume :	118.486134
Molecular weight :	100.088815	HOMO-LUMO gap :	10.976000

Herb list :

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.)'

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