2-Acetyl-Naphthalene

ScientificNameLabel

2-Acetyl-Naphthalene
PHCD compound ID :	4783
Chemical Names :	2-Acetyl-Naphthalene , Naphthalene 2-acetyl
Molecular Formula :	C12H10O1
Molecular Weight :	170.073165

More Details :

Names & Synonyms:	1-(2-naphthyl)ethanone , 1-(2-naphthalenyl)ethanone , 1-naphthalen-2-ylethanone
Smiles:	CC(=O)c1ccc2c(c1)cccc2
InChi :	InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
InChi Key :	InChIKey=XSAYZAUNJMRRIR-UHFFFAOYSA-N
PubChem ID :	7122

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.177207
Hydrogen bond donor count :	0	Electric dipole moment :	3.057
XLogP :	2.386	VDW volume :	162.566831
Molecular weight :	170.073165	HOMO-LUMO gap :	8.261000

Herb list :

Perovskia - Perovskia abrotanoides - برازمبل

Refrences & Litretures:


765. Journal:'Jundishapur J Nat Pharm Prod' Year:'2014' Volume:'9' Page:'1' DOI:'10.17795/jjnpp-16432' Title:'Influence of Environment on Glandular Trichomes and Composition of Essential Oil of Perovskia abrotanoides Karel'

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