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ScientificNameLabel
Esculetin
PHCD compound ID : 2502
Chemical Names :
Esculetin
Molecular Formula : C9H6O4
Molecular Weight : 178.026609
More Details :
Names & Synonyms: 6,7-dihydroxychromen-2-one , 6,7-dihydroxy-1-benzopyran-2-one , 6,7-bis(oxidanyl)chromen-2-one , esculetin
Smiles: O=c1ccc2c(o1)cc(c(c2)O)O
InChi : InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChi Key : InChIKey=ILEDWLMCKZNDJK-UHFFFAOYSA-N
PubChem ID : 5281416
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.113265
Hydrogen bond donor count : 2 Electric dipole moment : 6.411
XLogP : 1.078 VDW volume : 150.586016
Molecular weight : 178.026609 HOMO-LUMO gap : 7.868000
Herb list :
Refrences & Litretures:
  
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
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