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Basic information
- CAS
79713-03-4- Standard SMILES
N#Cc1[nH]cnc1O- InChIKey
WMJORRSQKXCYDF-UHFFFAOYSA-N- Molecular formula
- C4H3N3O
- Average molar mass
- 109.09 g/mol
- Monoisotopic mass
- 109.02761173
Names & identifiers
- Preferred name
- 4-hydroxy-1H-imidazole-5-carbonitrile
- IUPAC
- 4-hydroxy-1H-imidazole-5-carbonitrile
Names & synonyms
4-hydroxy-1H-imidazole-5-carbonitrile79713-03-4DTXSID90320022RefChem:293131DTXCID30271145NSC353745SCHEMBL5176480AKOS005219598NSC-353745
Database identifiers
- CAS
79713-03-4- PubChem CID
- 337100
- DTXSID
DTXSID90320022
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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