1,2-Ethanediol,monoacetate

ScientificNameLabel

1,2-Ethanediol,monoacetate
PHCD compound ID :	4411
Chemical Names :	1,2-Ethanediol,monoacetate
Molecular Formula :	C4H8O3
Molecular Weight :	104.047344

More Details :

Names & Synonyms:	2-hydroxyethyl acetate , acetic acid 2-hydroxyethyl ester , 2-hydroxyethyl ethanoate
Smiles:	CC(=O)OCCO
InChi :	InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
InChi Key :	InChIKey=HXDLWJWIAHWIKI-UHFFFAOYSA-N
PubChem ID :	10960

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.834728
Hydrogen bond donor count :	1	Electric dipole moment :	2.520
XLogP :	-0.468	VDW volume :	101.474619
Molecular weight :	104.047344	HOMO-LUMO gap :	11.742000

Herb list :

Pomegranate - Punica granatum - گلنار، انار

Refrences & Litretures:


656. Journal:'Int. J. LifeSc. Bt & Pharm. Res' Year:'2012' Volume:'1' Page:'164' DOI:'' Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'

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