≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C3=NC=C(C=C31)C(=O)O)NC=C(C2=O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 8-nitro-7-oxo-10H-1,10-phenanthroline-3-carboxylic acid |
| InChIKey | WNSJJSZSXGEBFT-UHFFFAOYSA-N |
| INCHI | 1S/C13H7N3O5/c17-12-8-2-1-6-3-7(13(18)19)4-14-10(6)11(8)15-5-9(12)16(20)21/h1-5H,(H,15,17)(H,18,19) |
| Molecular Weight | 285.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Phenanthrolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrolines |
| Alternative Parents | Quinoline carboxylic acids Nitroquinolines and derivatives Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Nitroaromatic compounds Benzenoids Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,10-phenanthroline - Nitroquinoline - Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 285.210 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 285.039 Da |
| Monoisotopic Mass | 285.039 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
