4-Hydroxy-3-methyl-2-butenyl-acetate

ScientificNameLabel

4-Hydroxy-3-methyl-2-butenyl-acetate
PHCD compound ID :	2760
Chemical Names :	4-Hydroxy-3-methyl-2-butenyl-acetate
Molecular Formula :	C7H12O3
Molecular Weight :	144.078644

More Details :

Names & Synonyms:	[(E)-4-hydroxy-3-methyl-but-2-enyl] acetate , acetic acid [(E)-4-hydroxy-3-methylbut-2-enyl] ester , [(E)-4-hydroxy-3-methylbut-2-enyl] acetate , [(E)-3-methyl-4-oxidanyl-but-2-enyl] ethanoate , acetic acid [(E)-4-hydroxy-3-methyl-but-2-enyl] ester
Smiles:	C/C(=C\COC(=O)C)/CO
InChi :	InChI=1S/C7H12O3/c1-6(5-8)3-4-10-7(2)9/h3,8H,4-5H2,1-2H3/b6-3+
InChi Key :	InChIKey=WSBIBTVBOUYRGA-ZZXKWVIFSA-N
PubChem ID :	5363566

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.902817
Hydrogen bond donor count :	1	Electric dipole moment :	2.543
XLogP :	-0.017	VDW volume :	150.726114
Molecular weight :	144.078644	HOMO-LUMO gap :	10.389000

Herb list :

Cucumber - Cucumis sativus - خیار

Refrences & Litretures:


318. Journal:'International Journal of Biological & Pharmaceutical Research' Year:'2013' Volume:'4' Page:'523' DOI:'' Title:'DETERMINATION OF BIOLOGICALLY ACTIVE CONSTITUENTS OF THE FRUITS OF CUCUMIS SATIVUS LINN. USING GC- MS ANALYSIS'

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