3-Methylbenzaldehyde

ScientificNameLabel

3-Methylbenzaldehyde
PHCD compound ID :	3116
Chemical Names :	3-Methylbenzaldehyde
Molecular Formula :	C8H8O1
Molecular Weight :	120.057515

More Details :

Names & Synonyms:	3-methylbenzaldehyde
Smiles:	O=Cc1cccc(c1)C
InChi :	InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChi Key :	InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N
PubChem ID :	12105

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.763544
Hydrogen bond donor count :	0	Electric dipole moment :	3.715
XLogP :	1.455	VDW volume :	121.912269
Molecular weight :	120.057515	HOMO-LUMO gap :	9.128000

Herb list :

Willd caraway - Bunium persicum - زیره سیاه

Refrences & Litretures:


415. Journal:'Turkish Journal of Botany' Year:'2013' Volume:'37' Page:'930' DOI:'10.3906/bot-1301-2' Title:'Effects of drought stress on quantitative and qualitative yield and antioxidative activity of Bunium persicum'
416. Journal:'Food Chemistry' Year:'2010' Volume:'120' Page:'765' DOI:'10.1016/j.foodchem.2009.11.008' Title:'Phytochemical composition of the essential oils from three Apiaceae species and their antibacterial effects on food-borne pathogens'

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