Heptan-3-ol

ScientificNameLabel

Heptan-3-ol
PHCD compound ID :	2247
Chemical Names :	Heptan-3-ol
Molecular Formula :	C7H16O1
Molecular Weight :	116.120115

More Details :

Names & Synonyms:	heptan-3-ol , 3-heptanol
Smiles:	CCCC[C@@H](CC)O
InChi :	InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChi Key :	InChIKey=RZKSECIXORKHQS-SSDOTTSWSA-N
PubChem ID :	11520

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.384612
Hydrogen bond donor count :	1	Electric dipole moment :	1.924
XLogP :	2.238	VDW volume :	138.418578
Molecular weight :	116.120115	HOMO-LUMO gap :	13.475000

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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