4H-Pyran-4-one.3-hydroxy-2.6-dimethyl-

ScientificNameLabel

4H-Pyran-4-one.3-hydroxy-2.6-dimethyl-
PHCD compound ID :	3717
Chemical Names :	4H-Pyran-4-one.3-hydroxy-2.6-dimethyl-
Molecular Formula :	C7H8O3
Molecular Weight :	140.047344

More Details :

Names & Synonyms:	3-hydroxy-2,6-dimethyl-pyran-4-one , 3-hydroxy-2,6-dimethyl-4-pyranone , 3-hydroxy-2,6-dimethylpyran-4-one , 2,6-dimethyl-3-oxidanyl-pyran-4-one
Smiles:	Cc1cc(=O)c(c(o1)C)O
InChi :	InChI=1S/C7H8O3/c1-4-3-6(8)7(9)5(2)10-4/h3,9H,1-2H3
InChi Key :	InChIKey=XDEZVFBBUCLCGZ-UHFFFAOYSA-N
PubChem ID :	228129

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.116222
Hydrogen bond donor count :	1	Electric dipole moment :	6.055
XLogP :	1.143	VDW volume :	135.733196
Molecular weight :	140.047344	HOMO-LUMO gap :	8.933000

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'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us