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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 | CC1=CC(=CC2=C1NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 6-methyl-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
| InChIKey | FQMGHDYQCQVRST-UHFFFAOYSA-N |
| INCHI | 1S/C14H14N2O4/c1-7-5-8(16(19)20)6-11-9-3-2-4-10(9)13(14(17)18)15-12(7)11/h2-3,5-6,9-10,13,15H,4H2,1H3,(H,17,18) |
| Molecular Weight | 274.27 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Nitroquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitroquinolines and derivatives |
| Alternative Parents | Quinoline carboxylic acids Alpha amino acids Hydroquinolines Nitroaromatic compounds Secondary alkylarylamines Aralkylamines Benzenoids Amino acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroquinoline - Quinoline-2-carboxylic acid - Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroquinoline - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety. |
| External Descriptors | Not available |
| Molecular Weight | 274.270 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.095 Da |
| Monoisotopic Mass | 274.095 Da |
| Topological Polar Surface Area | 95.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 459.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |