2.5-Hexanedione

ScientificNameLabel

2.5-Hexanedione
PHCD compound ID :	3759
Chemical Names :	2.5-Hexanedione
Molecular Formula :	C6H10O2
Molecular Weight :	114.06808

More Details :

Names & Synonyms:	hexane-2,5-dione
Smiles:	CC(=O)CCC(=O)C
InChi :	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChi Key :	InChIKey=OJVAMHKKJGICOG-UHFFFAOYSA-N
PubChem ID :	8035

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.236736
Hydrogen bond donor count :	0	Electric dipole moment :	0.102
XLogP :	-0.18	VDW volume :	124.639902
Molecular weight :	114.06808	HOMO-LUMO gap :	11.015000

Herb list :

Licorice, Liquorice - Glycyrrhiza glabra - شیرین بیان

Refrences & Litretures:


513. Journal:'J. of Supercritical Fluids' Year:'2014' Volume:'95' Page:'373' DOI:'10.1016/j.sup?u.2014.08.009' Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'

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