Compound Summary (CID 2819041) |
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  Compound Information CID 2819041 Create Date: 2005-07-19 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 242.1855 [g/mol] | | Molecular Formula | | C9H10N2O6 | | XLogP3-AA | | 1.4 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 7 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 242.053886 | | MonoIsotopic Mass | | 242.053886 | | Topological Polar Surface Area | | 121 | | Heavy Atom Count | | 17 | | Formal Charge | | 0 | | Complexity | | 457 | | 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 | | 4 | | Feature 3D Donor Count | | 2 | | Feature 3D Anion Count | | 2 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 8 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 12040031, Version: 1, Same
SID 48808474, Version: 1, Same
SID 53391795, Version: 1, Same
SID 72287471, Version: 1, Same
SID 72287471, Version: 2, Same
SID 83121842, Version: 1, Same
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