(4-Nitro-1-oxidoquinolin-1-ium-2-yl)methanol

HCID 3990366

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Basic information

CAS: 90771-64-5
Standard SMILES: O=[N+]([O-])c1cc(CO)[n+]([O-])c2ccccc12
InChIKey: WUKQFTWHNIQZJT-UHFFFAOYSA-N
Molecular formula: C10H8N2O4
Average molar mass: 220.18 g/mol
Monoisotopic mass: 220.04840674

Names & identifiers

Preferred name: (4-Nitro-1-oxidoquinolin-1-ium-2-yl)methanol
IUPAC: (4-nitro-1-oxidoquinolin-1-ium-2-yl)methanol

Names & synonyms

90771-64-5(4-nitro-1-oxidoquinolin-1-ium-2-yl)methanol2-Quinolinemethanol, 1-oxideDTXSID60398415NSC57478NSC-57478(4-Nitro-1-oxo-2h-quinolin-2-yl)methanolDS-007787(4-Nitro-1-oxo-1lambda~5~-quinolin-2-yl)methanol

Database identifiers

CAS: 90771-64-5
PubChem CID: 3990366
DTXSID: DTXSID60398415

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 91.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 268

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