ethyl 4-hydroxybutyrate

ScientificNameLabel

ethyl 4-hydroxybutyrate
PHCD compound ID :	655
Chemical Names :	ethyl 4-hydroxybutyrate
Molecular Formula :	C6H12O3
Molecular Weight :	132.078644

More Details :

Names & Synonyms:	ethyl 4-hydroxybutanoate , 4-hydroxybutanoic acid ethyl ester , ethyl 4-oxidanylbutanoate , 4-hydroxybutyric acid ethyl ester
Smiles:	OCCCC(=O)OCC
InChi :	InChI=1S/C6H12O3/c1-2-9-6(8)4-3-5-7/h7H,2-5H2,1H3
InChi Key :	InChIKey=AYPJVXQBVHCUCJ-UHFFFAOYSA-N
PubChem ID :	357772

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.729712
Hydrogen bond donor count :	1	Electric dipole moment :	2.569
XLogP :	0.143	VDW volume :	136.066588
Molecular weight :	132.078644	HOMO-LUMO gap :	11.738000

Herb list :

Grape, Vine grape - Vitis vinifera - انگور

Refrences & Litretures:


40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'

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