Glycolic acid, acetate

ScientificNameLabel

Glycolic acid, acetate
PHCD compound ID :	5434
Chemical Names :	Glycolic acid, acetate
Molecular Formula :	C4H6O4
Molecular Weight :	118.026609

More Details :

Names & Synonyms:	2-acetoxyacetic acid , 2-acetyloxyacetic acid , 2-acetyloxyethanoic acid
Smiles:	CC(=O)OCC(=O)O
InChi :	InChI=1S/C4H6O4/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChi Key :	InChIKey=MLXDUYUQINCFFV-UHFFFAOYSA-N
PubChem ID :	83766

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	4	Ionization potential :	11.283987
Hydrogen bond donor count :	1	Electric dipole moment :	0.689
XLogP :	-0.377	VDW volume :	107.628387
Molecular weight :	118.026609	HOMO-LUMO gap :	11.936000

Herb list :

Carob - Ceratonia siliqua - خرنوب

Refrences & Litretures:


901. Journal:'Journal of Advanced Research' Year:'2017' Volume:'8' Page:'379' DOI:'10.1016/j.jare.2017.05.002' Title:'Volatiles pro?ling in Ceratonia siliqua (Carob bean) from Egypt and in response to roasting as analyzed via solid-phase microextraction coupled to chemometrics'

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