1-hydroxy-4-nitroso-2H-isoquinolin-3-one
Basic information
- CAS
56055-60-8- Standard SMILES
O=Nc1c(=O)[nH]c(O)c2ccccc12- InChIKey
GLDJVVQRDOXJOK-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784206
Names & identifiers
- Preferred name
- 1-hydroxy-4-nitroso-2H-isoquinolin-3-one
- IUPAC
- 1-hydroxy-4-nitroso-2H-isoquinolin-3-one
Names & synonyms
NSC33804756055-60-8DTXSID20430380NSC-338047(4Z)-4-(Hydroxyimino)isoquinoline-1,3(2H,4H)-dione
Database identifiers
- CAS
56055-60-8- PubChem CID
- 333908
- DTXSID
DTXSID20430380
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 441
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Related reactions
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Compound notes
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