2-Oxo-1,2-dihydroquinoline-3,4-dicarboxylic acid
Basic information
- CAS
103646-21-5- Standard SMILES
O=C(O)c1c(C(=O)O)c2ccccc2[nH]c1=O- InChIKey
VTPQFYZNFAEAQH-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-3,4-dicarboxylic acid
- IUPAC
- 2-oxo-1H-quinoline-3,4-dicarboxylic acid
Names & synonyms
2-oxo-1,2-dihydroquinoline-3,4-dicarboxylic acid103646-21-51,2-dihydro-2-oxo-3,4-quinolinedicarboxylic acid2(1H)-Oxo-quinoline-3,4-dicarboxylic acid2-oxo-1H-quinoline-3,4-dicarboxylic acidOprea1_541123SCHEMBL2805779CHEMBL1357450SCHEMBL10467326SCHEMBL29415434VTPQFYZNFAEAQH-UHFFFAOYSA-NDTXSID401240382
Show more names
STK008105STL514079AKOS000716678AKOS037491744CCG-113827NCGC00160323-012-hydroxyquinoline-3,4-dicarboxylic acid2-oxohydroquinoline-3,4-dicarboxylic acid
Database identifiers
- CAS
103646-21-5- PubChem CID
- 804596
- DTXSID
DTXSID401240382- ChEMBL
CHEMBL1357450
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 426
Related reactions
6 records
Compound notes
Loading…