Basic information
- CAS
13207-96-0- Standard SMILES
Cn1ccc[n+](C)c1=O.[I-]- InChIKey
XAEGCHZJNBJBIX-UHFFFAOYSA-M- Molecular formula
- C6H9IN2O
- Average molar mass
- 252.05 g/mol
- Monoisotopic mass
- 251.97596
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodide
- IUPAC
- 1,3-dimethylpyrimidin-1-ium-2-one iodide
Names & synonyms
13207-96-01,3-Dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium iodideDTXSID804948671,3-dimethylpyrimidin-1-ium-2-one;iodide
Database identifiers
- CAS
13207-96-0- PubChem CID
- 12371692
- DTXSID
DTXSID80494867
Properties
Computed structural properties
- Topological polar surface area
- 23.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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