2,6-Dimethoxytoluene

ScientificNameLabel

2,6-Dimethoxytoluene
PHCD compound ID :	1917
Chemical Names :	2,6-Dimethoxytoluene
Molecular Formula :	C9H12O2
Molecular Weight :	152.08373

More Details :

Names & Synonyms:	1,3-dimethoxy-2-methyl-benzene , 1,3-dimethoxy-2-methylbenzene
Smiles:	COc1cccc(c1C)OC
InChi :	InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3
InChi Key :	InChIKey=FPEUDBGJAVKAEE-UHFFFAOYSA-N
PubChem ID :	79755

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	8.819019
Hydrogen bond donor count :	0	Electric dipole moment :	1.220
XLogP :	1.477	VDW volume :	150.634939
Molecular weight :	152.08373	HOMO-LUMO gap :	9.245000

Herb list :

Penny royal, Flea mint - Mentha pulegium - پونه معطر، خال واش، کوت کوتی

Refrences & Litretures:


224. Journal:'Industrial Crops and Products' Year:'2012' Volume:'36' Page:'81' DOI:'10.1016/j.indcrop.2011.08.011' Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'

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