4-oxo-1H-quinoline-3,7-dicarboxylic acid
Basic information
- CAS
63463-25-2- Standard SMILES
O=C(O)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1- InChIKey
QLHSVJRXHWXBHT-UHFFFAOYSA-N- Molecular formula
- C11H7NO5
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.03242232
Names & identifiers
- Preferred name
- 4-oxo-1H-quinoline-3,7-dicarboxylic acid
- IUPAC
- 4-oxo-1H-quinoline-3,7-dicarboxylic acid
- English name
- 4-Hydroxy-quinoline-3,7-dicarboxylic acid
- Molecular formula
- C11H7NO5
- Molecular weight
- 233.18
Names & synonyms
4-oxo-1H-quinoline-3,7-dicarboxylic acid63463-25-24-oxo-1,4-dihydroquinoline-3,7-dicarboxylic acid4-hydroxyquinoline-3,7-dicarboxylic acidCHEMBL139078154326-12-24-oxo-1,4-dihydro-3,7-quinolinedicarboxylic acidNSC307157Cambridge id 6153887Oprea1_251684SCHEMBL18589525DTXSID00316815
Show more names
4-Hydroxy-quinoline-3,7-dicarboxylic acid3,7-Quinolinedicarboxylic acid, 4-hydroxy-
BDBM50404728CCG-20505STL152044STL244321AKOS001673808AKOS002337271NSC-307157DS-015356
Database identifiers
- CAS
63463-25-2- PubChem CID
- 328523
- DTXSID
DTXSID00316815- ChEMBL
CHEMBL139078- Nikkaji
- J579.568K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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