1-Hydroxy-2-methoxy-3-oxidoimidazol-3-ium-4,5-diamine
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Basic information
- CAS
898250-16-3- Standard SMILES
COc1n(O)c(N)c(N)[n+]1[O-]- InChIKey
XLIMLSZKGOITEK-UHFFFAOYSA-N- Molecular formula
- C4H8N4O3
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.05964013
Names & identifiers
- Preferred name
- 1-Hydroxy-2-methoxy-3-oxidoimidazol-3-ium-4,5-diamine
- IUPAC
- 1-hydroxy-2-methoxy-3-oxidoimidazol-3-ium-4,5-diamine
- English name
- 1H-Imidazole-4,5-diamine, 1-hydroxy-2-methoxy-, 3-oxide
- Molecular formula
- C4H8N4O3
- Molecular weight
- 0
Names & synonyms
1H-Imidazole-4,5-diamine, 1-hydroxy-2-methoxy-, 3-oxide
Database identifiers
- CAS
898250-16-3- PubChem CID
- 45122233
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
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Compound notes
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