Methyl 3-hydroxyhexanoate

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Methyl 3-hydroxyhexanoate
PHCD compound ID :	2333
Chemical Names :	Methyl 3-hydroxyhexanoate
Molecular Formula :	C7H14O3
Molecular Weight :	146.094294

More Details :

Names & Synonyms:	methyl 3-hydroxyhexanoate , 3-hydroxyhexanoic acid methyl ester , methyl 3-oxidanylhexanoate
Smiles:	CCC[C@@H](CC(=O)OC)O
InChi :	InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChi Key :	InChIKey=ACCRBMDJCPPJDX-LURJTMIESA-N
PubChem ID :	519845

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.702549
Hydrogen bond donor count :	1	Electric dipole moment :	3.172
XLogP :	0.749	VDW volume :	153.362572
Molecular weight :	146.094294	HOMO-LUMO gap :	11.819000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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