2-Hydroxy-7,8-dimethylquinoline-3-carboxylic acid
Basic information
- CAS
436087-32-0- Standard SMILES
Cc1ccc2cc(C(=O)O)c(=O)[nH]c2c1C- InChIKey
KFLPYXFXNDLAHY-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 2-Hydroxy-7,8-dimethylquinoline-3-carboxylic acid
- IUPAC
- 7,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
436087-32-02-Hydroxy-7,8-dimethylquinoline-3-carboxylic acidDTXSID901197477SB712012-Hydroxy-7,8-dimethylquinoline-3-carboxylicacid1,2-Dihydro-7,8-dimethyl-2-oxo-3-quinolinecarboxylic acid7,8-Dimethyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
436087-32-0- PubChem CID
- 1133166
- DTXSID
DTXSID901197477
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…