Isobutyl phenylacetate

ScientificNameLabel

Isobutyl phenylacetate
PHCD compound ID :	4478
Chemical Names :	Isobutyl phenylacetate
Molecular Formula :	C12H16O2
Molecular Weight :	192.11503

More Details :

Names & Synonyms:	isobutyl 2-phenylacetate , 2-phenylacetic acid 2-methylpropyl ester , 2-methylpropyl 2-phenylacetate , 2-methylpropyl 2-phenylethanoate , 2-phenylacetic acid isobutyl ester
Smiles:	CC(COC(=O)Cc1ccccc1)C
InChi :	InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChi Key :	InChIKey=RJASFPFZACBKBE-UHFFFAOYSA-N
PubChem ID :	60998

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.649079
Hydrogen bond donor count :	0	Electric dipole moment :	1.662
XLogP :	2.652	VDW volume :	199.886434
Molecular weight :	192.11503	HOMO-LUMO gap :	9.742000

Herb list :

Sweet wormwood - Artemisia annua - گندواش، درمنه خزری، درمنه یکساله

Refrences & Litretures:


659. Journal:'Industrial Crops and Products' Year:'2012' Volume:'37' Page:'479' DOI:'10.1016/j.indcrop.2011.07.024' Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'

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