3-Quinolinecarboxylic acid, 7-ethoxy-4-hydroxy-
Basic information
- CAS
40400-85-9- Standard SMILES
CCOc1ccc2c(=O)c(C(=O)O)c[nH]c2c1- InChIKey
RDBMPZCJKYTMER-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 7-ethoxy-4-hydroxy-
- IUPAC
- 7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylicacid,7-ethoxy-4-hydroxy-(9CI)
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
40400-85-9NSC3071623-Quinolinecarboxylicacid,7-ethoxy-4-hydroxy-(9CI)3-Quinolinecarboxylic acid, 7-ethoxy-4-hydroxy-SCHEMBL31668736DTXSID50316820NSC-307162DB-2832407-Ethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-ethoxy-4-oxo-1H-quinoline-3-carboxylic acid
Database identifiers
- CAS
40400-85-9- PubChem CID
- 328528
- DTXSID
DTXSID50316820
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 425 · 425.0±45.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.30(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…