ethyl 3-hydroxybutyrate

ScientificNameLabel

ethyl 3-hydroxybutyrate
PHCD compound ID :	650
Chemical Names :	ethyl 3-hydroxybutyrate
Molecular Formula :	C6H12O3
Molecular Weight :	132.078644

More Details :

Names & Synonyms:	ethyl 3-hydroxybutanoate , 3-hydroxybutanoic acid ethyl ester , ethyl 3-oxidanylbutanoate , 3-hydroxybutyric acid ethyl ester
Smiles:	CCOC(=O)C[C@H](O)C
InChi :	InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChi Key :	InChIKey=OMSUIQOIVADKIM-RXMQYKEDSA-N
PubChem ID :	62572

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.501649
Hydrogen bond donor count :	1	Electric dipole moment :	3.653
XLogP :	0.245	VDW volume :	136.066588
Molecular weight :	132.078644	HOMO-LUMO gap :	11.319000

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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