Benzylacetone

ScientificNameLabel

Benzylacetone
PHCD compound ID :	5074
Chemical Names :	Benzylacetone
Molecular Formula :	C10H12O1
Molecular Weight :	148.088815

More Details :

Names & Synonyms:	4-phenylbutan-2-one , 4-phenyl-2-butanone
Smiles:	CC(=O)CCc1ccccc1
InChi :	InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChi Key :	InChIKey=AKGGYBADQZYZPD-UHFFFAOYSA-N
PubChem ID :	17355

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.569311
Hydrogen bond donor count :	0	Electric dipole moment :	3.036
XLogP :	1.898	VDW volume :	156.504238
Molecular weight :	148.088815	HOMO-LUMO gap :	9.773000

Herb list :

Lesser galangal - Alpinia officinarum - خولنجان

Refrences & Litretures:


791. Journal:'African Journal of Biotechnology' Year:'2010' Volume:'9' Page:'4264' DOI:'' Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'

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