6-Carboxyl-4-hydroxylaminoquinoline 1-oxide
Basic information
- CAS
13442-14-3- Standard SMILES
O=C(O)c1ccc2c(c1)c(=NO)ccn2O- InChIKey
XQPVWCCYBQNEGL-UHFFFAOYSA-N- Molecular formula
- C10H8N2O4
- Average molar mass
- 220.18 g/mol
- Monoisotopic mass
- 220.04840674
Names & identifiers
- Preferred name
- 6-Carboxyl-4-hydroxylaminoquinoline 1-oxide
- IUPAC
- 1-hydroxy-4-hydroxyiminoquinoline-6-carboxylic acid
- English name
- 6-Carboxyl-4-hydroxylaminoquinoline 1-oxide
- Molecular formula
- C10H8N2O4
- Molecular weight
- 220.18
Names & synonyms
13442-14-36-Carboxy-4-(hydroxyamino)quinoline 1-oxide6-Carboxyl-4-hydroxylaminoquinoline 1-oxide1-hydroxy-4-hydroxyiminoquinoline-6-carboxylic acidDTXSID809286171-Hydroxy-4-(hydroxyimino)-1,4-dihydroquinoline-6-carboxylic acid6-Quinolinecarboxylic acid, 4-(hydroxyamino)-, 1-oxide
Database identifiers
- CAS
13442-14-3- PubChem CID
- 83463
- DTXSID
DTXSID80928617
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 361.11 °C · 361.11°C (rough estimate)
- Density
- 1.3848 · 1.3848 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
- pka
- 3.77 · 3.77±0.30(Predicted)
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Related reactions
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Compound notes
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