3-methylcyclohexanone

ScientificNameLabel

3-methylcyclohexanone
PHCD compound ID :	4632
Chemical Names :	3-methylcyclohexanone
Molecular Formula :	C7H12O1
Molecular Weight :	112.088815

More Details :

Names & Synonyms:	3-methylcyclohexanone , 3-methyl-1-cyclohexanone , 3-methylcyclohexan-1-one
Smiles:	C[C@@H]1CCCC(=O)C1
InChi :	InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChi Key :	InChIKey=UJBOOUHRTQVGRU-ZCFIWIBFSA-N
PubChem ID :	11567

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.922255
Hydrogen bond donor count :	0	Electric dipole moment :	3.549
XLogP :	1.428	VDW volume :	123.42566
Molecular weight :	112.088815	HOMO-LUMO gap :	10.892000

Herb list :

Peppermint - Mentha piperita - نعنا فلفلی، نعنا

Refrences & Litretures:


723. Journal:'Songklanakarin J. Sci. Technol' Year:'2014' Volume:'36' Page:'83' DOI:'' Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'

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