Basic information
- CAS
90181-00-3- Standard SMILES
COc1ccc([N+](=O)[O-])c2ccc(C(=O)O)nc12- InChIKey
NEIJJUTWFPUIIZ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O5
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.04332136
Names & identifiers
- Preferred name
- 8-Methoxy-5-nitroquinoline-2-carboxylic acid
- IUPAC
- 8-methoxy-5-nitroquinoline-2-carboxylic acid
Names & synonyms
8-methoxy-5-nitroquinoline-2-carboxylic acid90181-00-3NSC602073DTXSID00326570NSC-6020738-methoxy-5-nitro-2-quinolinecarboxylic acid
Database identifiers
- CAS
90181-00-3- PubChem CID
- 353531
- DTXSID
DTXSID00326570
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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