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scoparone
ScientificNameLabel
scoparone
PHCD compound ID :
2009
Chemical Names :
scoparone , 6,7-dimethoxycoumarin
Molecular Formula :
C11H10O4
Molecular Weight :
206.057909
More Details :
Names & Synonyms:
6,7-dimethoxychromen-2-one , 6,7-dimethoxy-1-benzopyran-2-one , scoparone
Smiles:
COc1cc2oc(=O)ccc2cc1OC
InChi :
InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
InChi Key :
InChIKey=GUAFOGOEJLSQBT-UHFFFAOYSA-N
PubChem ID :
8417
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
8.735747
Hydrogen bond donor count :
0
Electric dipole moment :
7.430
XLogP :
1.291
VDW volume :
185.177985
Molecular weight :
206.057909
HOMO-LUMO gap :
7.708000
Herb list :
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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