3-Nitro-isonicotinic acid
Chemical Information
| CAS Number | 59290-82-3 |
| PubChem CID | 2762924 |
| IUPAC Name | 3-nitropyridine-4-carboxylic acid |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.11 |
| XLogP | 0.2 |
| Topological Polar Surface Area | 96 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 200 |
| Property | Value |
|---|---|
| Molecular Weight | 168.11 |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 168.01710661 |
| Monoisotopic Mass | 168.01710661 |
| Topological Polar Surface Area | 96 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 200 |
| 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 |
| Compound Is Canonicalized | Yes |
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