1-Phenyl heptan-3-one

ScientificNameLabel

1-Phenyl heptan-3-one
PHCD compound ID :	4205
Chemical Names :	1-Phenyl heptan-3-one
Molecular Formula :	C13H18O1
Molecular Weight :	190.135765

More Details :

Names & Synonyms:	1-phenylheptan-3-one , 1-phenyl-3-heptanone
Smiles:	CCCCC(=O)CCc1ccccc1
InChi :	InChI=1S/C13H18O/c1-2-3-9-13(14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChi Key :	InChIKey=ZGTHHNNORWULAE-UHFFFAOYSA-N
PubChem ID :	11830228

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.548182
Hydrogen bond donor count :	0	Electric dipole moment :	2.825
XLogP :	3.289	VDW volume :	208.392192
Molecular weight :	190.135765	HOMO-LUMO gap :	9.764000

Herb list :

Artichoke - Cynara scolymus - کنگر فرنگی، آرتیشو

Refrences & Litretures:


605. Journal:'J Sci Food Agric' Year:'2013' Volume:'93' Page:'2494' DOI:'10.1002/jsfa.6065' Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'

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