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ScientificNameLabel
p-Methoxyheptanophenone
PHCD compound ID : 2125
Chemical Names :
p-Methoxyheptanophenone
Molecular Formula : C14H20O2
Molecular Weight : 220.14633
More Details :
Names & Synonyms: 1-(4-methoxyphenyl)heptan-1-one , 1-(4-methoxyphenyl)-1-heptanone
Smiles: CCCCCCC(=O)c1ccc(cc1)OC
InChi : InChI=1S/C14H20O2/c1-3-4-5-6-7-14(15)12-8-10-13(16-2)11-9-12/h8-11H,3-7H2,1-2H3
InChi Key : InChIKey=ADNCVBHGESSUHS-UHFFFAOYSA-N
PubChem ID : 144345
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.262387
Hydrogen bond donor count : 0 Electric dipole moment : 2.833
XLogP : 3.38 VDW volume : 234.478403
Molecular weight : 220.14633 HOMO-LUMO gap : 8.959000
Herb list :
Refrences & Litretures:
  
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
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