5-Nitroisoquinoline-1-carboxylic acid
5-nitroisoquinoline-1-carboxylic acid
Also Known As: 5-nitroisoquinoline-1-carboxylic acid|1-Carboxy-5-nitroisoquinoline|5-nitroisoquinoline-1-carboxylicacid|1-Isoquinolinecarboxylic acid, 5-nitro-|5-Nitro-1-isoquinolinecarboxylic acid|5-nitro-isoquinoline-1-carboxylic acid|QC-9419
CAS: 75795-40-3
| Molecular Formula | C10H6N2O4 |
|---|---|
| Molecular Weight | 218.03276 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.03276 |
| Monoisotopic Mass | 218.03276 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 75795-40-3 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C(=O)O)C(=C1)[N+](=O)[O-] |
| InChIKey | GKSMRXCKXZEYGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (7 patents)
Product Overview
5-Nitroisoquinoline-1-carboxylic acid (CAS 75795-40-3), with molecular formula C10H6N2O4 and molecular weight 218.03276 g/mol. IUPAC: 5-nitroisoquinoline-1-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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