Benzen propanoic acid, 2-penthyl ester

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Benzen propanoic acid, 2-penthyl ester
PHCD compound ID :	1416
Chemical Names :	Benzen propanoic acid, 2-penthyl ester
Molecular Formula :	C14H20O2
Molecular Weight :	220.14633

More Details :

Names & Synonyms:	pentyl 3-phenylpropanoate , 3-phenylpropanoic acid pentyl ester , 3-phenylpropionic acid amyl ester
Smiles:	CCCCCOC(=O)CCc1ccccc1
InChi :	InChI=1S/C14H20O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChi Key :	InChIKey=ZCOWYOGEJLZCOM-UHFFFAOYSA-N
PubChem ID :	520040

Rotatable bond count :	8	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.647601
Hydrogen bond donor count :	0	Electric dipole moment :	1.981
XLogP :	3.873	VDW volume :	234.478403
Molecular weight :	220.14633	HOMO-LUMO gap :	9.799000

Herb list :

Erio yarrow - Achillea eriophora - بومادران

Refrences & Litretures:


150. Journal:'Journal of Herbal Drugs' Year:'2015' Volume:'5' Page:'187' DOI:'' Title:'Evaluation of the essential oil composition and antioxidant activity of Achillea eriophora as a medicinal plant'

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