Basic information
- CAS
40301-85-7- Standard SMILES
[N-]=[N+]=CC(=O)C(=O)C=[N+]=[N-]- InChIKey
ADQBQMGXHRGPJY-UHFFFAOYSA-N- Molecular formula
- C4H2N4O2
- Average molar mass
- 138.08 g/mol
- Monoisotopic mass
- 138.01777532
Names & identifiers
- Preferred name
- 1,4-Bis(diazo)-2,3-butanedione
- IUPAC
- 1,4-didiazobutane-2,3-dione
Names & synonyms
1,4-Bis(diazo)-2,3-butanedione40301-85-72,3-Butanedione, 1,4-bis(diazo)-
Database identifiers
- CAS
40301-85-7- PubChem CID
- 148339
- Nikkaji
- J994.360I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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