Compound Summary (CID 5351448) |
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  Compound Information CID 5351448 Create Date: 2005-03-26 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 200.10246 [g/mol] | | Molecular Formula | | C7H4O7 | | XLogP3-AA | | -0.3 | | H-Bond Donor | | 3 | | H-Bond Acceptor | | 7 | | Rotatable Bond Count | | 1 | | | | | Exact Mass | | 199.995702 | | MonoIsotopic Mass | | 199.995702 | | Topological Polar Surface Area | | 121 | | Heavy Atom Count | | 14 | | Formal Charge | | 0 | | Complexity | | 383 | | 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 | | | | | Feature 3D Acceptor Count | | 5 | | Feature 3D Donor Count | | 2 | | Feature 3D Anion Count | | 2 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 1.2 | | Conformer Sampling RMSD | | 0.4 | | CID Conformer Count | | 2 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 35484, Version: 1, Same
SID 67682, Version: 1, Same
SID 67682, Version: 2, Same
SID 153619, Version: 2, Same
SID 153619, Version: 3, Same
SID 213832, Version: 2, Mixture
SID 778012, Version: 2, Mixture
SID 778012, Version: 3, Mixture
SID 3718004, Version: 1, Same
SID 3718004, Version: 2, Same
SID 8157469, Version: 1, Same
SID 8157469, Version: 2, Same
SID 50432862, Version: 1, Same
SID 50650689, Version: 1, Mixture
SID 50773302, Version: 1, Mixture
SID 85474405, Version: 1, Same
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