33014-42-5
Product Name:
4',5',7-Tribromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dicarboxylic acid
Formula:
C22H9Br3O9
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COMPUTED DESCRIPTORS
| Molecular Weight | 657.0 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 655.77762 g/mol |
| Monoisotopic Mass | 653.77967 g/mol |
| Topological Polar Surface Area | 151 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 840 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |