6-Hydroxyquinolinic acid
Basic information
- CAS
7596-64-7- Standard SMILES
O=C(O)c1ccc(=O)[nH]c1C(=O)O- InChIKey
ZFPMYAUSXJJFFE-UHFFFAOYSA-N- Molecular formula
- C7H5NO5
- Average molar mass
- 183.12 g/mol
- Monoisotopic mass
- 183.01677226
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Hydroxyquinolinic acid
- IUPAC
- 6-oxo-1H-pyridine-2,3-dicarboxylic acid
Names & synonyms
6-hydroxyquinolinic acidRefChem:9139896-oxo-1H-pyridine-2,3-dicarboxylic acid7596-64-7NSC407242SCHEMBL1520617SCHEMBL29621628DTXSID40324616NSC-4072426-Oxo-1,6-dihydropyridine-2,3-dicarboxylic acid
Database identifiers
- CAS
7596-64-7- PubChem CID
- 348131
- DTXSID
DTXSID40324616- Nikkaji
- J1.357.865F
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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