8-Methoxy-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
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Basic information
- CAS
90771-54-3- Standard SMILES
COc1cccc2c(O)c(C(=O)O)nnc12- InChIKey
CPKOMFDXAWDEJC-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
Names & identifiers
- Preferred name
- 8-Methoxy-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
- IUPAC
- 8-methoxy-4-oxo-1H-cinnoline-3-carboxylic acid
- English name
- 8-Methoxy-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
- Molecular formula
- C10H8N2O4
- Molecular weight
- 220.18
Names & synonyms
8-Methoxy-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid90771-54-34-Hydroxy-8-methoxy-cinnoline-3-carboxylic acid8-Methoxy-4-oxo-1,4-dihydrocinnoline-3-carboxylicacid8-METHOXY-4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID3-Cinnolinecarboxylic acid, 4-hydroxy-8-methoxy-
Database identifiers
- CAS
90771-54-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 274 · 274-275 °C
- Boiling point
- 449.3 · 449.3±55.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- 0.17 · 0.17±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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