4-Acetyl-2-hydroxyisoquinolin-3-one
Basic information
- CAS
65417-65-4- Standard SMILES
CC(=O)c1c(=O)n(O)cc2ccccc12- InChIKey
DNGMTVZVSKSLSD-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 4-Acetyl-2-hydroxyisoquinolin-3-one
- IUPAC
- 4-acetyl-2-hydroxyisoquinolin-3-one
Names & synonyms
4-acetyl-2-hydroxyisoquinolin-3-one65417-65-4SCHEMBL14694389SCHEMBL30018365DTXSID604087604-acetyl-2-hydroxyisoquinolin-3(2H)-one1-(3-hydroxy-2-oxido-4-isoquinolinyl)ethanone1-(3-hydroxy-2-oxidoisoquinolin-2-ium-4-yl)ethanone
Database identifiers
- CAS
65417-65-4- PubChem CID
- 5146348
- DTXSID
DTXSID60408760
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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