3-Hydroxypyrazin-1(2H)-olate
Basic information
- CAS
39474-43-6- Standard SMILES
O=C1CN([O-])C=CN1- InChIKey
MLBNKHHOFWQYEH-UHFFFAOYSA-N- Molecular formula
- C4H5N2O2-
- Average molar mass
- 113.09 g/mol
- Monoisotopic mass
- 113.03510241
Names & identifiers
- Preferred name
- 3-Hydroxypyrazin-1(2H)-olate
- IUPAC
- 4-oxido-1,3-dihydropyrazin-2-one
Names & synonyms
3-Hydroxypyrazin-1(2H)-olate39474-43-6DTXSID90960104
Database identifiers
- CAS
39474-43-6- PubChem CID
- 72482
- DTXSID
DTXSID90960104
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- -1
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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