2,6-Octadienal

ScientificNameLabel

2,6-Octadienal
PHCD compound ID :	844
Chemical Names :	2,6-Octadienal
Molecular Formula :	C8H12O1
Molecular Weight :	124.088815

More Details :

Names & Synonyms:	octa-2,6-dienal
Smiles:	C/C=C/CC/C=C/C=O
InChi :	InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-3,6-8H,4-5H2,1H3/b3-2+,7-6+
InChi Key :	InChIKey=CBXNRMOWVZUZQA-BLWKUPHCSA-N
PubChem ID :	62121

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.934916
Hydrogen bond donor count :	0	Electric dipole moment :	4.349
XLogP :	2.577	VDW volume :	147.805186
Molecular weight :	124.088815	HOMO-LUMO gap :	9.687000

Herb list :

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Refrences & Litretures:


65. Journal:'Middle-East J. Sci. Res' Year:'2014' Volume:'21' Page:'1670' DOI:'' Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'

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