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7,8-methylenedioxy-6-methoxycoumarin
PHCD compound ID : 2007
Chemical Names :
7,8-methylenedioxy-6-methoxycoumarin
Molecular Formula : C11H8O5
Molecular Weight : 220.037173
More Details :
Names & Synonyms: 4-methoxy-[1,3]dioxolo[4,5-h]chromen-8-one , 4-methoxy-[1,3]dioxolo[4,5-h][1]benzopyran-8-one
Smiles: COc1cc2ccc(=O)oc2c2c1OCO2
InChi : InChI=1S/C11H8O5/c1-13-7-4-6-2-3-8(12)16-9(6)11-10(7)14-5-15-11/h2-4H,5H2,1H3
InChi Key : InChIKey=GHIKZCCKJTXOGO-UHFFFAOYSA-N
PubChem ID : 5319474
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.954703
Hydrogen bond donor count : 0 Electric dipole moment : 4.952
XLogP : 1.458 VDW volume : 181.611753
Molecular weight : 220.037173 HOMO-LUMO gap : 7.689000
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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