Basic information
- CAS
32692-30-1- Standard SMILES
O=C(O)C1C=CCn2c(=O)c3ccccc3c(=O)n21- InChIKey
AYOMKHXAKKGUPK-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- 1,4,6,11-Tetrahydro-6,11-dioxopyridazino[1,2-b]phthalazine-1-carboxylic acid
- IUPAC
- 6,11-dioxo-1,4-dihydropyridazino[1,2-b]phthalazine-4-carboxylic acid
Names & synonyms
DTXSID5011420061,4,6,11-Tetrahydro-6,11-dioxopyridazino[1,2-b]phthalazine-1-carboxylic acid32692-30-16,11-dioxo-1,4,6,11-tetrahydropyridazino[1,2-b]phthalazine-1-carboxylic acid
Database identifiers
- CAS
32692-30-1- PubChem CID
- 12376667
- DTXSID
DTXSID501142006
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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