5-Hydroxyphthalazine-1,4-dione
Basic information
- CAS
7607-80-9- Standard SMILES
O=C1N=NC(=O)c2c(O)cccc21- InChIKey
HVCMEHKGXSJATL-UHFFFAOYSA-N- Molecular formula
- C8H4N2O3
- Average molar mass
- 176.13 g/mol
- Monoisotopic mass
- 176.02219199
Names & identifiers
- Preferred name
- 5-Hydroxyphthalazine-1,4-dione
- IUPAC
- 5-hydroxyphthalazine-1,4-dione
Names & synonyms
5-hydroxyphthalazine-1,4-dione7607-80-9SCHEMBL29614745-Hydroxy-1,4-phthalazinedioneDTXSID701305555
Database identifiers
- CAS
7607-80-9- PubChem CID
- 18175973
- DTXSID
DTXSID701305555
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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