Methyl 3-hydroxybutanoate

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Methyl 3-hydroxybutanoate
PHCD compound ID :	2289
Chemical Names :	Methyl 3-hydroxybutanoate
Molecular Formula :	C5H10O3
Molecular Weight :	118.062994

More Details :

Names & Synonyms:	methyl 3-hydroxybutanoate , 3-hydroxybutanoic acid methyl ester , methyl 3-oxidanylbutanoate , 3-hydroxybutyric acid methyl ester
Smiles:	COC(=O)C[C@@H](O)C
InChi :	InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m0/s1
InChi Key :	InChIKey=LDLDJEAVRNAEBW-BYPYZUCNSA-N
PubChem ID :	15146

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.557128
Hydrogen bond donor count :	1	Electric dipole moment :	3.231
XLogP :	-0.178	VDW volume :	118.770603
Molecular weight :	118.062994	HOMO-LUMO gap :	11.302000

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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