Compound Summary (CID 5460292) |
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  Compound Information CID 5460292 Create Date: 2004-09-16 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 223.20204 [g/mol] | | Molecular Formula | | C11H11O5- | | XLogP3-AA | | 2.1 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 223.060648 | | MonoIsotopic Mass | | 223.060648 | | Topological Polar Surface Area | | 78.8 | | Heavy Atom Count | | 16 | | Formal Charge | | -1 | | Complexity | | 244 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 1 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 4 | | Feature 3D Donor Count | | 1 | | Feature 3D Anion Count | | 1 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 5 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 953599, Version: 2, Same
SID 953599, Version: 3, Same
SID 8145387, Version: 1, Same
SID 8145387, Version: 2, Same
SID 8145387, Version: 3, Same
SID 8145387, Version: 4, Same
SID 8145387, Version: 5, Same
SID 8145387, Version: 6, Same
SID 57394666, Version: 2, Same
SID 57394666, Version: 3, Same
SID 57394666, Version: 4, Same
SID 57394666, Version: 5, Same
SID 57394666, Version: 6, Same
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