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ScientificNameLabel
4-hydroxycoumarin
PHCD compound ID : 2012
Chemical Names :
4-hydroxycoumarin
Molecular Formula : C9H6O3
Molecular Weight : 162.031694
More Details :
Names & Synonyms: 4-hydroxychromen-2-one , 4-hydroxy-1-benzopyran-2-one , 4-oxidanylchromen-2-one , 4-hydroxycoumarin
Smiles: O=c1cc(O)c2c(o1)cccc2
InChi : InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChi Key : InChIKey=VXIXUWQIVKSKSA-UHFFFAOYSA-N
PubChem ID : 54682930
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.624264
Hydrogen bond donor count : 1 Electric dipole moment : 4.461
XLogP : 0.941 VDW volume : 141.79579
Molecular weight : 162.031694 HOMO-LUMO gap : 8.492000
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'
607.      Journal:'Chemistry of Natural Compounds'      Year:'2007'      Volume:'43'      Page:'239'      DOI:''      Title:'CHEMICAL COMPOSITION OF Cynara scolymus LEAVES'
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