2-Oxo-1,2-dihydroquinoline-6,8-dicarboxylic acid
Basic information
- CAS
1082040-59-2- Standard SMILES
O=C(O)c1cc(C(=O)O)c2[nH]c(=O)ccc2c1- InChIKey
LWGJHJZIWONNKE-UHFFFAOYSA-N- Molecular formula
- C11H7NO5
- Average molar mass
- 233.18 g/mol
- Monoisotopic mass
- 233.03242232
Names & identifiers
- Preferred name
- 2-Oxo-1,2-dihydroquinoline-6,8-dicarboxylic acid
- IUPAC
- 2-oxo-1H-quinoline-6,8-dicarboxylic acid
Names & synonyms
1082040-59-22-oxo-1,2-dihydroquinoline-6,8-dicarboxylic acidDTXSID3012393422-Hydroxy (1H)-quinoline-6,8-dicarboxylic acid1,2-Dihydro-2-oxo-6,8-quinolinedicarboxylic acid
Database identifiers
- CAS
1082040-59-2- PubChem CID
- 53399424
- DTXSID
DTXSID301239342
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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