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3,4,7-trimethoxycoumarin
PHCD compound ID : 2027
Chemical Names :
3,4,7-trimethoxycoumarin
Molecular Formula : C12H12O5
Molecular Weight : 236.068473
More Details :
Names & Synonyms: 3,4,7-trimethoxychromen-2-one , 3,4,7-trimethoxy-1-benzopyran-2-one , 3,4,7-trimethoxycoumarin
Smiles: COc1ccc2c(c1)oc(=O)c(c2OC)OC
InChi : InChI=1S/C12H12O5/c1-14-7-4-5-8-9(6-7)17-12(13)11(16-3)10(8)15-2/h4-6H,1-3H3
InChi Key : InChIKey=AYMSWLVOSROJFX-UHFFFAOYSA-N
PubChem ID : 606454
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.897098
Hydrogen bond donor count : 0 Electric dipole moment : 3.364
XLogP : 1.531 VDW volume : 211.264197
Molecular weight : 236.068473 HOMO-LUMO gap : 8.138000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
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