2-Ethyl hexyl salicylate

ScientificNameLabel

2-Ethyl hexyl salicylate
PHCD compound ID :	3133
Chemical Names :	2-Ethyl hexyl salicylate
Molecular Formula :	C15H22O3
Molecular Weight :	250.156895

More Details :

Names & Synonyms:	2-ethylhexyl 2-hydroxybenzoate , 2-hydroxybenzoic acid 2-ethylhexyl ester , 2-ethylhexyl 2-oxidanylbenzoate
Smiles:	CCCC[C@H](COC(=O)c1ccccc1O)CC
InChi :	InChI=1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3/t12-/m1/s1
InChi Key :	InChIKey=FMRHJJZUHUTGKE-GFCCVEGCSA-N
PubChem ID :	8364

Rotatable bond count :	8	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.494449
Hydrogen bond donor count :	1	Electric dipole moment :	2.672
XLogP :	4.583	VDW volume :	260.564615
Molecular weight :	250.156895	HOMO-LUMO gap :	9.040000

Herb list :

Rue - Ruta graveolens - سداب

Refrences & Litretures:


426. Journal:'Jordan Journal of Biological Sciences' Year:'2015' Volume:'8' Page:'139' DOI:'' Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'

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