Phen-1,4-diol, 2,3-dimethyl-5-trifluoromethyl

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Phen-1,4-diol, 2,3-dimethyl-5-trifluoromethyl
PHCD compound ID :	5117
Chemical Names :	Phen-1,4-diol, 2,3-dimethyl-5-trifluoromethyl
Molecular Formula :	C9H9F3O2
Molecular Weight :	206.055464

More Details :

Names & Synonyms:	2,3-dimethyl-5-(trifluoromethyl)benzene-1,4-diol , 2,3-dimethyl-5-(trifluoromethyl)hydroquinone
Smiles:	Oc1cc(c(c(c1C)C)O)C(F)(F)F
InChi :	InChI=1S/C9H9F3O2/c1-4-5(2)8(14)6(3-7(4)13)9(10,11)12/h3,13-14H,1-2H3
InChi Key :	InChIKey=TYCIZVUOGKUPFF-UHFFFAOYSA-N
PubChem ID :	590850

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.042735
Hydrogen bond donor count :	2	Electric dipole moment :	4.630
XLogP :	1.896	VDW volume :	168.837615
Molecular weight :	206.055464	HOMO-LUMO gap :	8.286000

Herb list :

Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی

Refrences & Litretures:


806. Journal:'Immunopharmacology and Immunotoxicology' Year:'2012' Volume:'34' Page:'205' DOI:'10.3109/08923973.2011.592534' Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'

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