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Basic information
- CAS
5423-95-0- Standard SMILES
Cc1[nH]c(=O)c2ccccc2c1O- InChIKey
HLDXZKOSCHBYGA-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 4-hydroxy-3-methyl-2H-isoquinolin-1-one
- IUPAC
- 4-hydroxy-3-methyl-2H-isoquinolin-1-one
Names & synonyms
5423-95-04-hydroxy-3-methylisoquinolin-1(2h)-one4-hydroxy-3-methyl-2H-isoquinolin-1-oneNSC13141SCHEMBL917825DTXSID60279553HLDXZKOSCHBYGA-UHFFFAOYSA-NNSC-13141
Database identifiers
- CAS
5423-95-0- PubChem CID
- 224567
- DTXSID
DTXSID60279553
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 270
Related reactions
2 records
Compound notes
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