Compound Summary (CID 21121) |
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  Compound Information CID 21121 Create Date: 2005-07-19 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 174.129149 [g/mol] | | Molecular Formula | | C8H7NaO3 | | H-Bond Donor | | 0 | | H-Bond Acceptor | | 3 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 174.029288 | | MonoIsotopic Mass | | 174.029288 | | Topological Polar Surface Area | | 49.4 | | Heavy Atom Count | | 12 | | Formal Charge | | 0 | | Complexity | | 136 | | 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 | | 2 | | | |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 163896, Version: 1, Same
SID 163896, Version: 2, Same
SID 7849515, Version: 1, Same
SID 8165567, Version: 1, Same
SID 24888329, Version: 1, Same
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