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ScientificNameLabel
1-(3-methoxyphenyl)-1-propanone
PHCD compound ID : 2840
Chemical Names :
1-(3-methoxyphenyl)-1-propanone
Molecular Formula : C10H12O2
Molecular Weight : 164.08373
More Details :
Names & Synonyms: 1-(3-methoxyphenyl)propan-1-one , 1-(3-methoxyphenyl)-1-propanone
Smiles: CCC(=O)c1cccc(c1)OC
InChi : InChI=1S/C10H12O2/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3
InChi Key : InChIKey=LPDJHUUWTGXTCU-UHFFFAOYSA-N
PubChem ID : 584765
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.188182
Hydrogen bond donor count : 0 Electric dipole moment : 3.926
XLogP : 1.104 VDW volume : 165.294465
Molecular weight : 164.08373 HOMO-LUMO gap : 8.666000
Herb list :
Refrences & Litretures:
  
344.      Journal:'Food Control'      Year:'2014'      Volume:'35'      Page:'109'      DOI:'10.1016/j.foodcont.2013.06.056'      Title:'Chemical composition, antibacterial activity and mechanism of action of essential oil from seeds of fennel (Foeniculum vulgare Mill.)'
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