1257379-83-1
Product Name:
Iron(III) 1,3,5-benzenetricarboxylate hydrate, porous (F-free MIL-100(Fe), KRICT F100) [Iron trimesate]
Formula:
C18H8Fe3O16
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COMPUTED DESCRIPTORS
| Molecular Weight | 650.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 2 |
| Exact Mass | 650.809516 g/mol |
| Monoisotopic Mass | 650.809516 g/mol |
| Topological Polar Surface Area | 245 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 608 |
| 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 | 9 |
| Compound Is Canonicalized | Yes |