m-Acetanisole

ScientificNameLabel

m-Acetanisole
PHCD compound ID :	3638
Chemical Names :	m-Acetanisole
Molecular Formula :	C9H10O2
Molecular Weight :	150.06808

More Details :

Names & Synonyms:	1-(3-methoxyphenyl)ethanone
Smiles:	COc1cccc(c1)C(=O)C
InChi :	InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChi Key :	InChIKey=BAYUSCHCCGXLAY-UHFFFAOYSA-N
PubChem ID :	11460

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.198658
Hydrogen bond donor count :	0	Electric dipole moment :	4.159
XLogP :	0.851	VDW volume :	147.99848
Molecular weight :	150.06808	HOMO-LUMO gap :	8.649000

Herb list :

Turnip - Brassica rapa - شلغم

Refrences & Litretures:


508. Journal:'Flavour Fragr. J' Year:'2005' Volume:'20' Page:'158' DOI:'10.1002/ffj.1335' Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'

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