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Basic information
- CAS
80030-73-5- Standard SMILES
Cc1nn2c(=O)c3c([N+](=O)[O-])c(C)nn3c(=O)c2c1[N+](=O)[O-]- InChIKey
VYJSXMMKHYSDFQ-UHFFFAOYSA-N- Molecular formula
- C10H6N6O6
- Average molar mass
- 306.19 g/mol
- Monoisotopic mass
- 306.03488193
Names & identifiers
- Preferred name
- 2,7-Dimethyl-3,8-dinitro-4H,9H-dipyrazolo(1,5-A:1',5'-D)pyrazine-4,9-dione
- IUPAC
- 5,11-dimethyl-4,10-dinitro-1,6,7,12-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-2,8-dione
Names & synonyms
80030-73-54E74ZX47QQ4H,9H-Dipyrazolo(1,5-a:1',5'-d)pyrazine-4,9-dione, 2,7-dimethyl-3,8-dinitro-NSC-353872DTXSID802300252,7-Dimethyl-3,8-dinitro-4H,9H-dipyrazolo(1,5-a:1',5'-d)pyrazine-4,9-dione5,11-DIMETHYL-4,10-DINITRO-1,6,7,12-TETRAZATRICYCLO(7.3.0.03,7)DODECA-3,5,9,11-TETRAENE-2,8-DIONE2,7-Dimethyl-3,8-dinitro-4H,9H-dipyrazolo[1,5-a:1',5'-d]pyrazine-4,9-dione4H,9H-Dipyrazolo[1,5-a:1',5'-d]pyrazine-4,9-dione, 2,7-dimethyl-3,8-dinitro-RefChem:197471DTXCID80152516NSC353872
Show more names
NSC 353872UNII-4E74ZX47QQ2,7-dimethyl-3,8-dinitro-dipyrazolo[[?],[?]]pyrazine-4,9-dione2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a:1',5'-d]pyrazine-4,9-dione
Database identifiers
- CAS
80030-73-5- PubChem CID
- 337107
- DTXSID
DTXSID80230025- UNII
- 4E74ZX47QQ
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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