Phenyl ethyl propanoate

ScientificNameLabel

Phenyl ethyl propanoate
PHCD compound ID :	4761
Chemical Names :	Phenyl ethyl propanoate
Molecular Formula :	C11H14O2
Molecular Weight :	178.09938

More Details :

Names & Synonyms:	2-phenylethyl propanoate , propanoic acid 2-phenylethyl ester , propionic acid phenethyl ester
Smiles:	CCC(=O)OCCc1ccccc1
InChi :	InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChi Key :	InChIKey=HVGZQCSMLUDISR-UHFFFAOYSA-N
PubChem ID :	31225

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.481938
Hydrogen bond donor count :	0	Electric dipole moment :	1.786
XLogP :	2.166	VDW volume :	182.590449
Molecular weight :	178.09938	HOMO-LUMO gap :	9.778000

Herb list :

- Kelussia odoratissima - کلوس

Refrences & Litretures:


756. Journal:'Journal of Herbs, Spices & Medicinal Plants' Year:'2011' Volume:'17' Page:'62' DOI:'10.1080/10496475.2011.560089' Title:'Chemical Composition of Three Ecotypes of Wild Celery (Kelussia odoratissima)'

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