Basic information
- CAS
492-26-2- Standard SMILES
O=C1C[C@@H](C(=O)O)Nc2ccccc21- InChIKey
VYOPZMJTHXGKID-QMMMGPOBSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- Kynurenine Yellow
- IUPAC
- (2S)-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acid
- English name
- (S)-1,2,3,4-Tetrahydro-4-oxo-2-quinolinecarboxylic acid
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
Kynurenine Yellow492-26-2(S)-1,2,3,4-Tetrahydro-4-oxo-2-quinolinecarboxylic acid4-Keto-1,2,3,4-tetrahydroquinoline-2-carboxylic acidRefChem:151608Quinaldic acid, 1,2,3,4-tetrahydro-4-oxo-, L-2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, (S)-(2S)-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylic acidDTXSID30964181VYOPZMJTHXGKID-QMMMGPOBSA-N(2S)-4-oxo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, (2S)-
Show more names
4-Oxo-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid #
Database identifiers
- CAS
492-26-2- PubChem CID
- 68113
- DTXSID
DTXSID30964181- Nikkaji
- J17.663J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 446.3 · 446.3±45.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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