3-Heptanone

ScientificNameLabel

3-Heptanone
PHCD compound ID :	888
Chemical Names :	3-Heptanone
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	heptan-3-one , 3-heptanone
Smiles:	CCCCC(=O)CC
InChi :	InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
InChi Key :	InChIKey=NGAZZOYFWWSOGK-UHFFFAOYSA-N
PubChem ID :	7802

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.977549
Hydrogen bond donor count :	0	Electric dipole moment :	2.893
XLogP :	1.829	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	10.974000

Herb list :

Hazel, Filbert - Corylus avellana - فندق

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Refrences & Litretures:


72. Journal:'Industrial Crops and Products' Year:'2006' Volume:'24' Page:'253' DOI:'10.1016/j.indcrop.2006.06.011' Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
552. Journal:'Radiation Physics and Chemistry' Year:'2009' Volume:'78' Page:'407' DOI:'10.1016/j.radphyschem.2009.03.008' Title:'Effect of ?-irradiation on the physicochemical and sensory properties of hazelnuts (Corylus avellana L.)'

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