Basic information
- CAS
459410-44-7- Standard SMILES
COc1cc([N+](=O)[O-])c2[nH]cc(C(=O)O)c(=O)c2c1- InChIKey
VZRPWBYMXWLDHH-UHFFFAOYSA-N- Molecular formula
- C11H8N2O6
- Average molar mass
- 264.19 g/mol
- Monoisotopic mass
- 264.03823598
Names & identifiers
- Preferred name
- 4-Hydroxy-6-methoxy-8-nitro-3-quinolinecarboxylic acid
- IUPAC
- 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylic acid
Names & synonyms
459410-44-74-Hydroxy-6-methoxy-8-nitro-3-quinolinecarboxylic acidRefChem:2933473-Carboxy-6-methoxy-8-nitro-4-quinolinolVZRPWBYMXWLDHH-UHFFFAOYSA-NDTXSID3012080844-Hydroxy-6-methoxy-8-nitroquinoline-3-carboxylic acid4-Hydroxy-6-methoxy-8-nitro-3-quinolinecarboxylic acid #
Database identifiers
- CAS
459410-44-7- PubChem CID
- 613223
- DTXSID
DTXSID301208084
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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