3-Hydroxyhexanoic acid

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3-Hydroxyhexanoic acid
PHCD compound ID :	2229
Chemical Names :	3-Hydroxyhexanoic acid
Molecular Formula :	C6H12O3
Molecular Weight :	132.078644

More Details :

Names & Synonyms:	3-hydroxyhexanoic acid , 3-oxidanylhexanoic acid
Smiles:	CCC[C@@H](CC(=O)O)O
InChi :	InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChi Key :	InChIKey=HPMGFDVTYHWBAG-YFKPBYRVSA-N
PubChem ID :	151492

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	10.669661
Hydrogen bond donor count :	2	Electric dipole moment :	2.684
XLogP :	0.428	VDW volume :	136.066588
Molecular weight :	132.078644	HOMO-LUMO gap :	11.247000

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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