Basic information
- CAS
92306-77-9- Standard SMILES
[N-]=[N+]=C1C(=O)NC(=O)NC1C(=O)O- InChIKey
YXCSLXGBWWXARZ-UHFFFAOYSA-N- Molecular formula
- C5H4N4O4
- Average molar mass
- 184.11 g/mol
- Monoisotopic mass
- 184.02325462
Names & identifiers
- Preferred name
- 6-Carboxy-5-diazonio-2-oxo-1,2,3,6-tetrahydropyrimidin-4-olate
- IUPAC
- 5-diazo-2,6-dioxo-1,3-diazinane-4-carboxylic acid
Names & synonyms
92306-77-9SCHEMBL19930244-Pyrimidinecarboxylicacid, 5-diazohexahydro-2,6-dioxo-DTXSID903981456-Carboxy-5-diazonio-2-oxo-1,2,3,6-tetrahydropyrimidin-4-olateNSC154911NSC-154911DS-015428
Database identifiers
- CAS
92306-77-9- PubChem CID
- 3944899
- DTXSID
DTXSID90398145
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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