Aurintricarboxylic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 150
Total Number of Articles : 137
PubChem 2259
Molecular Formula

C22H14O9

SMILES

C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)

synonyms
  • aurintricarboxylic acid
  • 4431-00-9
  • Aluminon free acid
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Properties
Property Value
MW 422.3 g/mol
HBD 5
HBA 9
Rotatable Bond Count 5
Exact Mass 422.06378202 g/mol
Monoisotopic Mass 422.06378202 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 841
xlogp 4.3
Topological Polar Surface Area 169