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ScientificNameLabel
Anisyl acetone
PHCD compound ID : 695
Chemical Names :
Anisyl acetone
Molecular Formula : C11H14O2
Molecular Weight : 178.09938
More Details :
Names & Synonyms: 4-(4-methoxyphenyl)butan-2-one , 4-(4-methoxyphenyl)-2-butanone
Smiles: COc1ccc(cc1)CCC(=O)C
InChi : InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChi Key : InChIKey=PCBSXBYCASFXTM-UHFFFAOYSA-N
PubChem ID : 61007
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.842841
Hydrogen bond donor count : 0 Electric dipole moment : 3.564
XLogP : 1.083 VDW volume : 182.590449
Molecular weight : 178.09938 HOMO-LUMO gap : 8.980000
Herb list :
Refrences & Litretures:
  
45.      Journal:'Can. J. Plant Sci'      Year:'1977'      Volume:'57'      Page:'681'      DOI:''      Title:'ESSENTIAL OILS FROM SPICES GROWN IN ALBERTA. ANISE OIL (PIMPINELLA ANISUM)'
349.      Journal:'Psyche: A Journal of Entomology'      Year:'2014'      Volume:'2014'      Page:'1'      DOI:'10.1155/2014/424078'      Title:'Chemical Composition and Acaricidal Effects of Essential Oils of Foeniculum vulgare Mill. (Apiales: Apiaceae) and Lavandula angustifolia Miller (Lamiales: Lamiaceae) against Tetranychus urticae Koch (Acari: Tetranychidae)'
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