esculetin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 256
Total Number of Articles : 154
PubChem 5281416
Molecular Formula

C9H6O4

SMILES

C1=CC(=O)OC2=CC(=C(C=C21)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

synonyms
  • Esculetin
  • 305-01-1
  • 6,7-DIHYDROXYCOUMARIN
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Properties
Property Value
MW 178.14 g/mol
HBD 2
HBA 4
Rotatable Bond Count 0
Exact Mass 178.02660867 g/mol
Monoisotopic Mass 178.02660867 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 248
xlogp 1.2
Topological Polar Surface Area 66.8